4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]-2,2-bis[3-oxidanyl-4-(phenylcarbonyl)phenyl]pentanoic acid

Systemtic Name: 4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]-2,2-bis[3-oxidanyl-4-(phenylcarbonyl)phenyl]pentanoic acid Openeye Name: 2,2-bis(4-benzoyl-3-hydroxy-phenyl)-4-cyano-4-(1-cyano-4-hydroxy-1-methyl-4-oxo-butyl)azo-pentanoic acid CAS Name: 2,2-bis(4-benzoyl-3-hydroxyphenyl)-4-cyano-4-(2-cyano-5-hydroxy-5-oxopentan-2-yl)azopentanoic acid IUPAC Name: 2,2-bis(4-benzoyl-3-hydroxyphenyl)-4-cyano-4-[(2-cyano-5-hydroxy-5-oxopentan-2-yl)diazenyl]pentanoic acid Traditional Name: 2,2-bis(4-benzoyl-3-hydroxy-phenyl)-4-cyano-4-(1-cyano-4-hydroxy-4-keto-1-methyl-butyl)azo-valeric acid Formula: C38H32N4O8 MolecularWeight: 672.68268

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C#N)N=NC(C)(CC(C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O)(C3=CC(=C(C=C3)C(=O)C4=CC=CC=C4)O)C(=O)O)C#N

Isomeric SMILES

CC(CCC(=O)O)(C#N)N=NC(C)(CC(C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O)(C3=CC(=C(C=C3)C(=O)C4=CC=CC=C4)O)C(=O)O)C#N

InChI

InChI=1S/C38H32N4O8/c1-36(22-39,18-17-32(45)46)41-42-37(2,23-40)21-38(35(49)50,26-13-15-28(30(43)19-26)33(47)24-9-5-3-6-10-24)27-14-16-29(31(44)20-27)34(48)25-11-7-4-8-12-25/h3-16,19-20,43-44H,17-18,21H2,1-2H3,(H,45,46)(H,49,50)