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

Systemtic Name: 3-[3-(2-carboxyethyl)-4-tetradecoxy-phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-tetradecoxy-benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-tetradecoxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-tetradecoxybenzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-myristyloxy-benzoyl]benzoic acid Formula: C31H42O6 MolecularWeight: 510.66158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C31H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-37-28-19-17-26(22-24(28)18-20-29(32)33)30(34)25-15-14-16-27(23-25)31(35)36/h14-17,19,22-23H,2-13,18,20-21H2,1H3,(H,32,33)(H,35,36)