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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CCCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C30H32O7/c1-36-26-12-6-9-21(18-26)8-4-2-3-5-17-37-27-15-13-24(19-22(27)14-16-28(31)32)29(33)23-10-7-11-25(20-23)30(34)35/h6-7,9-13,15,18-20H,2-5,8,14,16-17H2,1H3,(H,31,32)(H,34,35)