sodium 3-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 3-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-1-naphthyl]azo]benzenesulfonate CAS Name: sodium 3-[[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 3-[[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[[4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-1-naphthyl]azo]besylate Formula: C22H15N4NaO4S MolecularWeight: 454.43367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)[O-])NN=C4C=CC(=O)C=C4.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)[O-])NN=C4C=CC(=O)C=C4.[Na+]

InChI

InChI=1S/C22H16N4O4S.Na/c27-17-10-8-15(9-11-17)23-25-21-12-13-22(20-7-2-1-6-19(20)21)26-24-16-4-3-5-18(14-16)31(28,29)30;/h1-14,25H,(H,28,29,30);/q;+1/p-1