cadmium(2+); 4-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)diazenyl]-3-oxidanidyl-naphthalene-2-carboxylate; hydron

Systemtic Name: cadmium(2+); 4-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)diazenyl]-3-oxidanidyl-naphthalene-2-carboxylate; hydron Openeye Name: cadmium(2+); 4-(5-chloro-4-methyl-2-sulfonato-phenyl)azo-3-oxido-naphthalene-2-carboxylate; hydron CAS Name: cadmium(2+); 4-(5-chloro-4-methyl-2-sulfonatophenyl)azo-3-oxido-2-naphthalenecarboxylate; hydron IUPAC Name: cadmium(2+); 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate; hydron Traditional Name: cadmium(2+); 4-(5-chloro-4-methyl-2-sulfonato-phenyl)azo-3-oxido-2-naphthoate; hydron Formula: C18H11CdClN2O6S MolecularWeight: 531.21874

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=CC(=C(C=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)[O-])[O-])S(=O)(=O)[O-].[Cd+2]

Isomeric SMILES

[H+].CC1=CC(=C(C=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)[O-])[O-])S(=O)(=O)[O-].[Cd+2]

InChI

InChI=1S/C18H13ClN2O6S.Cd/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2