2-[2-[3-(2-carboxyethyl)-4-decoxy-phenyl]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-[3-(2-carboxyethyl)-4-decoxy-phenyl]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-[3-(2-carboxyethyl)-4-decoxy-phenyl]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[3-(2-carboxyethyl)-4-decoxyphenyl]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[3-(2-carboxyethyl)-4-decoxyphenyl]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-[3-(2-carboxyethyl)-4-decoxy-phenyl]-2-keto-ethyl]benzoic acid Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2C(=O)O)CCC(=O)O

InChI

InChI=1S/C28H36O6/c1-2-3-4-5-6-7-8-11-18-34-26-16-14-22(19-23(26)15-17-27(30)31)25(29)20-21-12-9-10-13-24(21)28(32)33/h9-10,12-14,16,19H,2-8,11,15,17-18,20H2,1H3,(H,30,31)(H,32,33)