3-[3-[2,3-bis(oxidanyl)phenyl]propoxy]-5-octadecoxy-benzoic acid

Systemtic Name: 3-[3-[2,3-bis(oxidanyl)phenyl]propoxy]-5-octadecoxy-benzoic acid Openeye Name: 3-[3-(2,3-dihydroxyphenyl)propoxy]-5-octadecoxy-benzoic acid CAS Name: 3-[3-(2,3-dihydroxyphenyl)propoxy]-5-octadecoxybenzoic acid IUPAC Name: 3-[3-(2,3-dihydroxyphenyl)propoxy]-5-octadecoxybenzoic acid Traditional Name: 3-[3-(2,3-dihydroxyphenyl)propoxy]-5-stearyloxy-benzoic acid Formula: C34H52O6 MolecularWeight: 556.77308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

InChI=1S/C34H52O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-39-30-25-29(34(37)38)26-31(27-30)40-24-19-21-28-20-18-22-32(35)33(28)36/h18,20,22,25-27,35-36H,2-17,19,21,23-24H2,1H3,(H,37,38)