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

Systemtic Name: 2-[4-(2-carboxyethyl)-3-decoxy-2-ethanoyl-phenyl]benzoic acid Openeye Name: 2-[2-acetyl-4-(2-carboxyethyl)-3-decoxy-phenyl]benzoic acid CAS Name: 2-[2-acetyl-4-(2-carboxyethyl)-3-decoxyphenyl]benzoic acid IUPAC Name: 2-[2-acetyl-4-(2-carboxyethyl)-3-decoxyphenyl]benzoic acid Traditional Name: 2-[2-acetyl-4-(2-carboxyethyl)-3-decoxy-phenyl]benzoic acid Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC(=C1C(=O)C)C2=CC=CC=C2C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC(=C1C(=O)C)C2=CC=CC=C2C(=O)O)CCC(=O)O

InChI

InChI=1S/C28H36O6/c1-3-4-5-6-7-8-9-12-19-34-27-21(16-18-25(30)31)15-17-23(26(27)20(2)29)22-13-10-11-14-24(22)28(32)33/h10-11,13-15,17H,3-9,12,16,18-19H2,1-2H3,(H,30,31)(H,32,33)