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

Systemtic Name: 3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]-oxidanyl-methyl]benzoic acid Openeye Name: 3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]-hydroxy-methyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-decoxyphenyl]-hydroxymethyl]benzoic acid IUPAC Name: 3-[[3-(2-carboxyethyl)-4-decoxyphenyl]-hydroxymethyl]benzoic acid Traditional Name: 3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]-hydroxy-methyl]benzoic acid Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC(=C2)C(=O)O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC(=C2)C(=O)O)O)CCC(=O)O

InChI

InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-33-24-15-13-22(18-20(24)14-16-25(28)29)26(30)21-11-10-12-23(19-21)27(31)32/h10-13,15,18-19,26,30H,2-9,14,16-17H2,1H3,(H,28,29)(H,31,32)