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3-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-5-decoxy-benzoic acid

3-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-5-decoxy-benzoic acid

Systemtic Name:3-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-5-decoxy-benzoic acid
Openeye Name:3-decoxy-5-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid
CAS Name:3-decoxy-5-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid
IUPAC Name:3-decoxy-5-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid
Traditional Name:3-decoxy-5-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid
Formula: C29H42O6
MolecularWeight: 486.64018
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCC2=CC(=C(C=C2)O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCC2=CC(=C(C=C2)O)O)C(=O)O


InChI

InChI=1S/C29H42O6/c1-2-3-4-5-6-7-9-12-17-34-25-20-24(29(32)33)21-26(22-25)35-18-13-10-8-11-14-23-15-16-27(30)28(31)19-23/h15-16,19-22,30-31H,2-14,17-18H2,1H3,(H,32,33)


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