3-[3-(2-carboxyethyl)-4-[(E)-6-phenylhex-5-enoxy]phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-[(E)-6-phenylhex-5-enoxy]phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-[(E)-6-phenylhex-5-enoxy]benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-[(E)-6-phenylhex-5-enoxy]phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-[(E)-6-phenylhex-5-enoxy]benzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-[(E)-6-phenylhex-5-enoxy]benzoyl]benzoic acid Formula: C29H28O6 MolecularWeight: 472.52902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C29H28O6/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/h3-6,8-14,16,19-20H,1-2,7,15,17-18H2,(H,30,31)(H,33,34)/b9-4+