5-[4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-3-[[4-(octadecanoylamino)phenyl]carbonylamino]-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-3-[[4-(octadecanoylamino)phenyl]carbonylamino]-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[3-[[4-(octadecanoylamino)benzoyl]amino]-5-oxo-4-[4-(p-tolylsulfonylamino)phenyl]azo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]azo-5-oxo-3-[[oxo-[4-(1-oxooctadecylamino)phenyl]methyl]amino]-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-3-[[4-(octadecanoylamino)benzoyl]amino]-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[5-keto-3-[(4-stearamidobenzoyl)amino]-4-[4-(tosylamino)phenyl]azo-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C53H63N7O9S2 MolecularWeight: 1006.23882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2N=NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C5=CC(=C(C=C5)OC6=CC=CC=C6)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2N=NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C5=CC(=C(C=C5)OC6=CC=CC=C6)S(=O)(=O)O

InChI

InChI=1S/C53H63N7O9S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-49(61)54-41-28-26-40(27-29-41)52(62)55-51-50(57-56-42-30-32-43(33-31-42)59-70(64,65)46-35-24-39(2)25-36-46)53(63)60(58-51)44-34-37-47(48(38-44)71(66,67)68)69-45-21-18-17-19-22-45/h17-19,21-22,24-38,50,59H,3-16,20,23H2,1-2H3,(H,54,61)(H,55,58,62)(H,66,67,68)