4-[7-oxidanyl-7-oxidanylidene-2-[3-[3-(4-phenylbutoxy)phenyl]propyl]heptyl]benzoic acid

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-[3-[3-(4-phenylbutoxy)phenyl]propyl]heptyl]benzoic acid Openeye Name: 4-[7-hydroxy-7-oxo-2-[3-[3-(4-phenylbutoxy)phenyl]propyl]heptyl]benzoic acid CAS Name: 4-[7-hydroxy-7-oxo-2-[3-[3-(4-phenylbutoxy)phenyl]propyl]heptyl]benzoic acid IUPAC Name: 4-[7-hydroxy-7-oxo-2-[3-[3-(4-phenylbutoxy)phenyl]propyl]heptyl]benzoic acid Traditional Name: 4-[7-hydroxy-7-keto-2-[3-[3-(4-phenylbutoxy)phenyl]propyl]heptyl]benzoic acid Formula: C33H40O5 MolecularWeight: 516.6677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40O5/c34-32(35)18-5-4-13-27(24-29-19-21-30(22-20-29)33(36)37)14-8-15-28-16-9-17-31(25-28)38-23-7-6-12-26-10-2-1-3-11-26/h1-3,9-11,16-17,19-22,25,27H,4-8,12-15,18,23-24H2,(H,34,35)(H,36,37)