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

Systemtic Name: 2-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-3-octadecoxy-benzoic acid Openeye Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-3-octadecoxy-benzoic acid CAS Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-3-octadecoxybenzoic acid IUPAC Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-3-octadecoxybenzoic acid Traditional Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-3-stearyloxy-benzoic acid Formula: C37H58O6 MolecularWeight: 598.85282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

InChI=1S/C37H58O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-29-42-34-28-23-26-32(37(40)41)36(34)43-30-21-18-16-19-24-31-25-22-27-33(38)35(31)39/h22-23,25-28,38-39H,2-21,24,29-30H2,1H3,(H,40,41)