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

Systemtic Name: 3-[[3-(carboxymethyl)-4-octoxy-phenyl]-oxidanyl-methyl]benzoic acid Openeye Name: 3-[[3-(carboxymethyl)-4-octoxy-phenyl]-hydroxy-methyl]benzoic acid CAS Name: 3-[[3-(carboxymethyl)-4-octoxyphenyl]-hydroxymethyl]benzoic acid IUPAC Name: 3-[[3-(carboxymethyl)-4-octoxyphenyl]-hydroxymethyl]benzoic acid Traditional Name: 3-[[3-(carboxymethyl)-4-octoxy-phenyl]-hydroxy-methyl]benzoic acid Formula: C24H30O6 MolecularWeight: 414.4914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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