Benzoic acid 4-chloro-2-[2-(2-hydroxy-6-sulfo-1-naphthalenyldiazenyl]- strontium salt (1:1

General Information

Mainterm	Benzoic acid 4-chloro-2-[2-(2-hydroxy-6-sulfo-1-naphthalenyldiazenyl]- strontium salt (1:1
CAS Reg.No.(or other ID)	474814-88-5
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	12078828
IUPAC Name	strontium;4-chloro-2-[(2Z)-2-(2-oxo-6-sulfonatonaphthalen-1-ylidene)hydrazinyl]benzoate
InChI	InChI=1S/C17H11ClN2O6S.Sr/c18-10-2-4-13(17(22)23)14(8-10)19-20-16-12-5-3-11(27(24,25)26)7-9(12)1-6-15(16)21;/h1-8,19H,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-16-;
InChI Key	FDQGANWMVSWCSP-LRZQPWDCSA-L
Canonical SMILES	C1=CC2=C(C=CC(=O)C2=NNC3=C(C=CC(=C3)Cl)C(=O)[O-])C=C1S(=O)(=O)[O-].[Sr+2]
Molecular Formula	C17H9ClN2O6SSr

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	492.397
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Complexity	756.0
CACTVS Substructure Key Fingerprint	A A A D c c B 7 O A B E A A A A B A A A A A A A A A A A A A A A A A A w Y I A A A A A A A A C B Q A A A H g Y Y A A A A D A 6 B 2 C A w y Y B i A A K o A 6 T y S H D S B E A k B w A Y i B k g b t g I J r q B l 5 G A M Y B m 2 A E I y c e Y y K C O l A A A g A I S A A A o A A E A B C Q A A A A A A A A A A A = =
Topological Polar Surface Area	147.0
Monoisotopic Mass	491.893
Exact Mass	491.893
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	28
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Halobenzoic acids Phenylhydrazines Benzoic acids Organic metal halides Vinylogous amides Hydrocarbon derivatives Sulfonyls Aryl chlorides Organic oxides Hydrazones Benzoyl derivatives 1-sulfo,2-unsubstituted aromatic compounds Organic cations Cyclic ketones Organosulfonic acids Chlorobenzenes Carboxylic acids Organochlorides Carboxylic acid salts
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene - Halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Carboxylic acid salt - Cyclic ketone - Ketone - Organic metal halide - Carboxylic acid derivative - Hydrazone - Carboxylic acid - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organic cation - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

From ClassyFire