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

Systemtic Name: 3-[3-(2-carboxyethyl)-4-[6-(2-methoxyphenyl)hexoxy]phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-[6-(2-methoxyphenyl)hexoxy]benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-[6-(2-methoxyphenyl)hexoxy]phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-[6-(2-methoxyphenyl)hexoxy]benzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-[6-(2-methoxyphenyl)hexoxy]benzoyl]benzoic acid Formula: C30H32O7 MolecularWeight: 504.57088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1CCCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C30H32O7/c1-36-26-13-6-5-10-21(26)9-4-2-3-7-18-37-27-16-14-24(19-22(27)15-17-28(31)32)29(33)23-11-8-12-25(20-23)30(34)35/h5-6,8,10-14,16,19-20H,2-4,7,9,15,17-18H2,1H3,(H,31,32)(H,34,35)