4-[7-oxidanyl-7-oxidanylidene-2-[(E)-3-[2-(3-phenoxypropoxy)phenyl]prop-1-enyl]heptyl]benzoic acid

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-[(E)-3-[2-(3-phenoxypropoxy)phenyl]prop-1-enyl]heptyl]benzoic acid Openeye Name: 4-[7-hydroxy-7-oxo-2-[(E)-3-[2-(3-phenoxypropoxy)phenyl]prop-1-enyl]heptyl]benzoic acid CAS Name: 4-[7-hydroxy-7-oxo-2-[(E)-3-[2-(3-phenoxypropoxy)phenyl]prop-1-enyl]heptyl]benzoic acid IUPAC Name: 4-[7-hydroxy-7-oxo-2-[(E)-3-[2-(3-phenoxypropoxy)phenyl]prop-1-enyl]heptyl]benzoic acid Traditional Name: 4-[(E)-2-(5-hydroxy-5-keto-pentyl)-5-[2-(3-phenoxypropoxy)phenyl]pent-3-enyl]benzoic acid Formula: C32H36O6 MolecularWeight: 516.62464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=CC=CC=C2CC=CC(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=CC=CC=C2C/C=C/C(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C32H36O6/c33-31(34)17-7-4-10-25(24-26-18-20-28(21-19-26)32(35)36)11-8-13-27-12-5-6-16-30(27)38-23-9-22-37-29-14-2-1-3-15-29/h1-3,5-6,8,11-12,14-16,18-21,25H,4,7,9-10,13,17,22-24H2,(H,33,34)(H,35,36)/b11-8+