5-[4-[2-(3-methoxycarbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[4-[2-(3-methoxycarbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[4-[2-(3-methoxycarbonyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-[2-(3-methoxycarbonyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-oxo-3-(1-oxooctadecylamino)-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-[2-(3-methoxycarbonyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[4-[N'-(3-carbomethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-keto-3-stearamido-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C41H53N5O9S MolecularWeight: 791.95262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1NN=C2C=C(C=CC2=O)C(=O)OC)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1NN=C2C=C(C=CC2=O)C(=O)OC)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C41H53N5O9S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-37(48)42-39-38(44-43-33-28-30(41(50)54-2)24-26-34(33)47)40(49)46(45-39)31-25-27-35(36(29-31)56(51,52)53)55-32-21-18-17-19-22-32/h17-19,21-22,24-29,38,44H,3-16,20,23H2,1-2H3,(H,42,45,48)(H,51,52,53)