3-[3-(2-carboxyethyl)-4-[6-(4-ethanoylphenyl)hexoxy]phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-[6-(4-ethanoylphenyl)hexoxy]phenyl]carbonylbenzoic acid Openeye Name: 3-[4-[6-(4-acetylphenyl)hexoxy]-3-(2-carboxyethyl)benzoyl]benzoic acid CAS Name: 3-[[4-[6-(4-acetylphenyl)hexoxy]-3-(2-carboxyethyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[6-(4-acetylphenyl)hexoxy]-3-(2-carboxyethyl)benzoyl]benzoic acid Traditional Name: 3-[4-[6-(4-acetylphenyl)hexoxy]-3-(2-carboxyethyl)benzoyl]benzoic acid Formula: C31H32O7 MolecularWeight: 516.58158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CCCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CCCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C31H32O7/c1-21(32)23-12-10-22(11-13-23)7-4-2-3-5-18-38-28-16-14-26(19-24(28)15-17-29(33)34)30(35)25-8-6-9-27(20-25)31(36)37/h6,8-14,16,19-20H,2-5,7,15,17-18H2,1H3,(H,33,34)(H,36,37)