4-[7-oxidanyl-7-oxidanylidene-2-[(E)-2-[2-(4-phenylbutoxy)phenyl]ethenyl]heptyl]benzoic acid

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-[(E)-2-[2-(4-phenylbutoxy)phenyl]ethenyl]heptyl]benzoic acid Openeye Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-[2-(4-phenylbutoxy)phenyl]vinyl]heptyl]benzoic acid CAS Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-[2-(4-phenylbutoxy)phenyl]ethenyl]heptyl]benzoic acid IUPAC Name: 4-[7-hydroxy-7-oxo-2-[(E)-2-[2-(4-phenylbutoxy)phenyl]ethenyl]heptyl]benzoic acid Traditional Name: 4-[(E)-2-(5-hydroxy-5-keto-pentyl)-4-[2-(4-phenylbutoxy)phenyl]but-3-enyl]benzoic acid Formula: C32H36O5 MolecularWeight: 500.62524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=CC=CC=C2C=CC(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=CC=CC=C2/C=C/C(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C32H36O5/c33-31(34)16-7-4-13-26(24-27-18-21-29(22-19-27)32(35)36)17-20-28-14-5-6-15-30(28)37-23-9-8-12-25-10-2-1-3-11-25/h1-3,5-6,10-11,14-15,17-22,26H,4,7-9,12-13,16,23-24H2,(H,33,34)(H,35,36)/b20-17+