sodium 1-methoxy-4-[[3-oxidanylidene-2-[(4-sulfonatosulfanylphenyl)diazenyl]butanoyl]amino]benzene

Systemtic Name: sodium 1-methoxy-4-[[3-oxidanylidene-2-[(4-sulfonatosulfanylphenyl)diazenyl]butanoyl]amino]benzene Openeye Name: sodium 1-methoxy-4-[[3-oxo-2-(4-sulfonatosulfanylphenyl)azo-butanoyl]amino]benzene CAS Name: sodium 1-[[1,3-dioxo-2-[4-(sulfonatothio)phenyl]azobutyl]amino]-4-methoxybenzene IUPAC Name: sodium 1-methoxy-4-[[3-oxo-2-[(4-sulfonatosulfanylphenyl)diazenyl]butanoyl]amino]benzene Traditional Name: sodium 1-[[3-keto-2-[4-(sulfonatothio)phenyl]azo-butanoyl]amino]-4-methoxy-benzene Formula: C17H16N3NaO6S2 MolecularWeight: 445.44521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC=C(C=C1)OC)N=NC2=CC=C(C=C2)SS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC=C(C=C1)OC)N=NC2=CC=C(C=C2)SS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H17N3O6S2.Na/c1-11(21)16(17(22)18-12-3-7-14(26-2)8-4-12)20-19-13-5-9-15(10-6-13)27-28(23,24)25;/h3-10,16H,1-2H3,(H,18,22)(H,23,24,25);/q;+1/p-1