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

Systemtic Name: 3-[[3-(carboxymethyl)-4-decoxy-phenyl]-oxidanyl-methyl]benzoic acid Openeye Name: 3-[[3-(carboxymethyl)-4-decoxy-phenyl]-hydroxy-methyl]benzoic acid CAS Name: 3-[[3-(carboxymethyl)-4-decoxyphenyl]-hydroxymethyl]benzoic acid IUPAC Name: 3-[[3-(carboxymethyl)-4-decoxyphenyl]-hydroxymethyl]benzoic acid Traditional Name: 3-[[3-(carboxymethyl)-4-decoxy-phenyl]-hydroxy-methyl]benzoic acid Formula: C26H34O6 MolecularWeight: 442.54456

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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)CC(=O)O

Isomeric SMILES

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

InChI

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