2-Naphthalenesulfonic acid, 6-hydroxy-5((4-methoxy-2-sulfophenylazo-, strontium salt (1:1

General Information

Mainterm	2-Naphthalenesulfonic acid, 6-hydroxy-5((4-methoxy-2-sulfophenylazo-, strontium salt (1:1
CAS Reg.No.(or other ID)	380304-86-9
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	13007362
IUPAC Name	strontium;(5Z)-5-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate
InChI	InChI=1S/C17H14N2O8S2.Sr/c1-27-11-3-6-14(16(9-11)29(24,25)26)18-19-17-13-5-4-12(28(21,22)23)8-10(13)2-7-15(17)20;/h2-9,18H,1H3,(H,21,22,23)(H,24,25,26);/q;+2/p-2/b19-17-;
InChI Key	YHFOLWDIFQVELV-HGMLFDQWSA-L
Canonical SMILES	COC1=CC(=C(C=C1)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Sr+2]
Molecular Formula	C17H12N2O8S2Sr

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	524.029
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Complexity	874.0
CACTVS Substructure Key Fingerprint	A A A D c c B 7 P A B g 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 Q Y A A A A D A y B 2 A I y x 4 B i B A K o A 6 R y Q H D S D E A g I g A Y i B 0 m b N g M J r K E t Z u A M C B k 2 B E I 6 Y e 4 y I C O k E A A h A A Q A Q A g g A E I A C A C A A A A A A A A A A = =
Topological Polar Surface Area	182.0
Monoisotopic Mass	523.909
Exact Mass	523.909
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	30
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	Alkyl aryl ethers Methoxybenzenes Phenoxy compounds Methoxyanilines Organic cations Hydrocarbon derivatives Organic oxides Hydrazones Anisoles 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Sulfonyls Cyclic ketones Organosulfonic acids Organic salts Phenylhydrazines
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Cyclic ketone - Ketone - Hydrazone - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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