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

Systemtic Name: sodium 4-[[5-methoxy-2-methyl-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[5-methoxy-2-methyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]azobenzenesulfonate CAS Name: sodium 4-[5-methoxy-2-methyl-4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]azobenzenesulfonate IUPAC Name: sodium 4-[[5-methoxy-2-methyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-5-methoxy-2-methyl-phenyl]azobesylate Formula: C20H17N4NaO5S MolecularWeight: 448.42755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5S.Na/c1-13-11-19(24-22-14-3-7-16(25)8-4-14)20(29-2)12-18(13)23-21-15-5-9-17(10-6-15)30(26,27)28;/h3-12,24H,1-2H3,(H,26,27,28);/q;+1/p-1