2-naphthalenesulfonic acid, 5-((4-chloro -5-ethyl -2-sulfophenyl azo -6-hydroxy-, strontium salt(1:1 (CI Pigment Red 276

General Information

Mainterm	2-naphthalenesulfonic acid, 5-((4-chloro -5-ethyl -2-sulfophenyl azo -6-hydroxy-, strontium salt(1:1 (CI Pigment Red 276
CAS Reg.No.(or other ID)	197566-90-8
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	71587621
IUPAC Name	strontium;(5Z)-5-[(4-chloro-5-ethyl-2-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate
InChI	InChI=1S/C18H15ClN2O7S2.Sr/c1-2-10-8-15(17(9-14(10)19)30(26,27)28)20-21-18-13-5-4-12(29(23,24)25)7-11(13)3-6-16(18)22;/h3-9,20H,2H2,1H3,(H,23,24,25)(H,26,27,28);/q;+2/p-2/b21-18-;
InChI Key	VCAJSMXKGCXQFF-WIPIHYDQSA-L
Canonical SMILES	CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Sr+2]
Molecular Formula	C18H13ClN2O7S2Sr

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	556.499
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Complexity	910.0
CACTVS Substructure Key Fingerprint	A A A D c c B 7 O A B k 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 y w Y B i A A K o A 6 R y Q H D S B E A g B w A Y i B 0 g Z t g I I L K B l 5 G A I A B g m A A I y Y c Y i I C O k A B A w B A R A Q A g A I G A I C I C A A A A A A A A A A = =
Topological Polar Surface Area	173.0
Monoisotopic Mass	555.891
Exact Mass	555.891
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	31
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	Phenylhydrazines Organic cations Hydrocarbon derivatives Aryl chlorides Organic oxides Hydrazones 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Sulfonyls Cyclic ketones Organosulfonic acids Chlorobenzenes Organochlorides Organic metal halides
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Cyclic ketone - Organic metal halide - Hydrazone - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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