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

Systemtic Name: 3-methoxy-4-[8-oxidanyl-8-oxidanylidene-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxy-benzoic acid Openeye Name: 4-[6-hydroxy-6-oxo-1-[2-[2-(5-phenylpentoxy)phenyl]ethyl]hexoxy]-3-methoxy-benzoic acid CAS Name: 4-[8-hydroxy-8-oxo-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxy-3-methoxybenzoic acid IUPAC Name: 4-[8-hydroxy-8-oxo-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxy-3-methoxybenzoic acid Traditional Name: 4-[6-hydroxy-6-keto-1-[2-[2-(5-phenylpentoxy)phenyl]ethyl]hexoxy]-3-methoxy-benzoic acid Formula: C33H40O7 MolecularWeight: 548.6665

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)OC(CCCCC(=O)O)CCC2=CC=CC=C2OCCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)OC(CCCCC(=O)O)CCC2=CC=CC=C2OCCCCCC3=CC=CC=C3

InChI

InChI=1S/C33H40O7/c1-38-31-24-27(33(36)37)20-22-30(31)40-28(16-8-10-18-32(34)35)21-19-26-15-7-9-17-29(26)39-23-11-3-6-14-25-12-4-2-5-13-25/h2,4-5,7,9,12-13,15,17,20,22,24,28H,3,6,8,10-11,14,16,18-19,21,23H2,1H3,(H,34,35)(H,36,37)