3-[8-[2,3-bis(oxidanyl)phenyl]octoxy]-5-hexadecoxy-benzoic acid

Systemtic Name: 3-[8-[2,3-bis(oxidanyl)phenyl]octoxy]-5-hexadecoxy-benzoic acid Openeye Name: 3-[8-(2,3-dihydroxyphenyl)octoxy]-5-hexadecoxy-benzoic acid CAS Name: 3-[8-(2,3-dihydroxyphenyl)octoxy]-5-hexadecoxybenzoic acid IUPAC Name: 3-[8-(2,3-dihydroxyphenyl)octoxy]-5-hexadecoxybenzoic acid Traditional Name: 3-cetyloxy-5-[8-(2,3-dihydroxyphenyl)octoxy]benzoic acid Formula: C37H58O6 MolecularWeight: 598.85282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

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