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

Systemtic Name: 3-[3-(2-carboxyethyl)-4-(6-phenylhexoxy)phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-(6-phenylhexoxy)benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-(6-phenylhexoxy)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-(6-phenylhexoxy)benzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-(6-phenylhexoxy)benzoyl]benzoic acid Formula: C29H30O6 MolecularWeight: 474.5449

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C29H30O6/c30-27(31)17-15-22-19-24(28(32)23-12-8-13-25(20-23)29(33)34)14-16-26(22)35-18-7-2-1-4-9-21-10-5-3-6-11-21/h3,5-6,8,10-14,16,19-20H,1-2,4,7,9,15,17-18H2,(H,30,31)(H,33,34)