2-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-3-tetradecoxy-benzoic acid

Systemtic Name: 2-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-3-tetradecoxy-benzoic acid Openeye Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-3-tetradecoxy-benzoic acid CAS Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-3-tetradecoxybenzoic acid IUPAC Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-3-tetradecoxybenzoic acid Traditional Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-3-myristyloxy-benzoic acid Formula: C33H50O6 MolecularWeight: 542.7465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

InChI=1S/C33H50O6/c1-2-3-4-5-6-7-8-9-10-11-13-16-25-38-30-24-19-22-28(33(36)37)32(30)39-26-17-14-12-15-20-27-21-18-23-29(34)31(27)35/h18-19,21-24,34-35H,2-17,20,25-26H2,1H3,(H,36,37)