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

Systemtic Name: 2-[5-[(3-ethoxycarbonylphenyl)-oxidanyl-methyl]-2-octoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(3-ethoxycarbonylphenyl)-hydroxy-methyl]-2-octoxy-phenyl]acetic acid CAS Name: 2-[5-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-2-octoxyphenyl]acetic acid IUPAC Name: 2-[5-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-2-octoxyphenyl]acetic acid Traditional Name: 2-[5-[(3-carbethoxyphenyl)-hydroxy-methyl]-2-octoxy-phenyl]acetic acid Formula: C26H34O6 MolecularWeight: 442.54456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC(=C2)C(=O)OCC)O)CC(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC(=C2)C(=O)OCC)O)CC(=O)O

InChI

InChI=1S/C26H34O6/c1-3-5-6-7-8-9-15-32-23-14-13-20(17-22(23)18-24(27)28)25(29)19-11-10-12-21(16-19)26(30)31-4-2/h10-14,16-17,25,29H,3-9,15,18H2,1-2H3,(H,27,28)