2-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-5-hexadecoxy-benzoic acid

Systemtic Name: 2-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-5-hexadecoxy-benzoic acid Openeye Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-5-hexadecoxy-benzoic acid CAS Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-5-hexadecoxybenzoic acid IUPAC Name: 2-[6-(2,3-dihydroxyphenyl)hexoxy]-5-hexadecoxybenzoic acid Traditional Name: 5-cetyloxy-2-[6-(2,3-dihydroxyphenyl)hexoxy]benzoic acid Formula: C35H54O6 MolecularWeight: 570.79966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

InChI=1S/C35H54O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-26-40-30-24-25-33(31(28-30)35(38)39)41-27-19-16-14-17-21-29-22-20-23-32(36)34(29)37/h20,22-25,28,36-37H,2-19,21,26-27H2,1H3,(H,38,39)