4-[8-oxidanyl-8-oxidanylidene-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxybenzoic acid

Systemtic Name: 4-[8-oxidanyl-8-oxidanylidene-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxybenzoic acid Openeye Name: 4-[6-hydroxy-6-oxo-1-[2-[2-(5-phenylpentoxy)phenyl]ethyl]hexoxy]benzoic acid CAS Name: 4-[8-hydroxy-8-oxo-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxybenzoic acid IUPAC Name: 4-[8-hydroxy-8-oxo-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxybenzoic acid Traditional Name: 4-[6-hydroxy-6-keto-1-[2-[2-(5-phenylpentoxy)phenyl]ethyl]hexoxy]benzoic acid Formula: C32H38O6 MolecularWeight: 518.64052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC2=CC=CC=C2CCC(CCCCC(=O)O)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC=CC=C2CCC(CCCCC(=O)O)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C32H38O6/c33-31(34)17-9-7-15-28(38-29-22-19-27(20-23-29)32(35)36)21-18-26-14-6-8-16-30(26)37-24-10-2-5-13-25-11-3-1-4-12-25/h1,3-4,6,8,11-12,14,16,19-20,22-23,28H,2,5,7,9-10,13,15,17-18,21,24H2,(H,33,34)(H,35,36)