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

Systemtic Name: 5-[3-(octadecanoylamino)-5-oxidanylidene-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[3-(octadecanoylamino)-5-oxo-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[5-oxo-4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-3-(1-oxooctadecylamino)-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[3-(octadecanoylamino)-5-oxo-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[5-keto-4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-3-stearamido-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C39H51N5O7S MolecularWeight: 733.91654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1NN=C2C=CC(=O)C=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=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/C39H51N5O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-36(46)40-38-37(42-41-30-23-26-32(45)27-24-30)39(47)44(43-38)31-25-28-34(35(29-31)52(48,49)50)51-33-20-17-16-18-21-33/h16-18,20-21,23-29,37,42H,2-15,19,22H2,1H3,(H,40,43,46)(H,48,49,50)