2-[5-[(3-ethoxycarbonylphenyl)-oxidanyl-methyl]-2-hexoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(3-ethoxycarbonylphenyl)-oxidanyl-methyl]-2-hexoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(3-ethoxycarbonylphenyl)-hydroxy-methyl]-2-hexoxy-phenyl]acetic acid CAS Name: 2-[5-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-2-hexoxyphenyl]acetic acid IUPAC Name: 2-[5-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-2-hexoxyphenyl]acetic acid Traditional Name: 2-[5-[(3-carbethoxyphenyl)-hydroxy-methyl]-2-hexoxy-phenyl]acetic acid Formula: C24H30O6 MolecularWeight: 414.4914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC(=C2)C(=O)OCC)O)CC(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC(=C2)C(=O)OCC)O)CC(=O)O

InChI

InChI=1S/C24H30O6/c1-3-5-6-7-13-30-21-12-11-18(15-20(21)16-22(25)26)23(27)17-9-8-10-19(14-17)24(28)29-4-2/h8-12,14-15,23,27H,3-7,13,16H2,1-2H3,(H,25,26)