5-[3-heptadecyl-5-oxidanylidene-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[3-heptadecyl-5-oxidanylidene-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[3-heptadecyl-5-oxo-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[3-heptadecyl-5-oxo-4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[3-heptadecyl-5-oxo-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[3-heptadecyl-5-keto-4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C38H50N4O6S MolecularWeight: 690.8918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1NN=C2C=CC(=O)C=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1NN=C2C=CC(=O)C=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C38H50N4O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34-37(40-39-30-23-26-32(43)27-24-30)38(44)42(41-34)31-25-28-35(36(29-31)49(45,46)47)48-33-20-17-16-18-21-33/h16-18,20-21,23-29,37,40H,2-15,19,22H2,1H3,(H,45,46,47)