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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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