sodium 5-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-2-methoxy-benzenesulfonate

Systemtic Name: sodium 5-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-2-methoxy-benzenesulfonate Openeye Name: sodium 5-(4-amino-5-methoxy-2-methyl-phenyl)azo-2-methoxy-benzenesulfonate CAS Name: sodium 5-(4-amino-5-methoxy-2-methylphenyl)azo-2-methoxybenzenesulfonate IUPAC Name: sodium 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzenesulfonate Traditional Name: sodium 5-(4-amino-5-methoxy-2-methyl-phenyl)azo-2-methoxy-besylate Formula: C15H16N3NaO5S MolecularWeight: 373.35941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)[O-])OC)N.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)[O-])OC)N.[Na+]

InChI

InChI=1S/C15H17N3O5S.Na/c1-9-6-11(16)14(23-3)8-12(9)18-17-10-4-5-13(22-2)15(7-10)24(19,20)21;/h4-8H,16H2,1-3H3,(H,19,20,21);/q;+1/p-1