8-[2,5-bis(oxidanylidene)-3,4-diphenyl-pyrrol-1-yl]octanoic acid

Systemtic Name: 8-[2,5-bis(oxidanylidene)-3,4-diphenyl-pyrrol-1-yl]octanoic acid Openeye Name: 8-(2,5-dioxo-3,4-diphenyl-pyrrol-1-yl)octanoic acid CAS Name: 8-(2,5-dioxo-3,4-diphenyl-1-pyrrolyl)octanoic acid IUPAC Name: 8-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)octanoic acid Traditional Name: 8-(2,5-diketo-3,4-diphenyl-3-pyrrolin-1-yl)caprylic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C2=O)CCCCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C2=O)CCCCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO4/c26-20(27)16-10-2-1-3-11-17-25-23(28)21(18-12-6-4-7-13-18)22(24(25)29)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,26,27)