sodium 4-methoxy-3-[[5-methoxy-2-methyl-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-methoxy-3-[[5-methoxy-2-methyl-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-methoxy-3-[5-methoxy-2-methyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]azo-benzenesulfonate CAS Name: sodium 4-methoxy-3-[5-methoxy-2-methyl-4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]azobenzenesulfonate IUPAC Name: sodium 4-methoxy-3-[[5-methoxy-2-methyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-5-methoxy-2-methyl-phenyl]azo-4-methoxy-besylate Formula: C21H19N4NaO6S MolecularWeight: 478.45353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])OC)OC)NN=C3C=CC(=O)C=C3.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])OC)OC)NN=C3C=CC(=O)C=C3.[Na+]

InChI

InChI=1S/C21H20N4O6S.Na/c1-13-10-18(24-22-14-4-6-15(26)7-5-14)21(31-3)12-17(13)23-25-19-11-16(32(27,28)29)8-9-20(19)30-2;/h4-12,24H,1-3H3,(H,27,28,29);/q;+1/p-1