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

Systemtic Name: 3-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-5-decoxy-benzoic acid Openeye Name: 3-decoxy-5-[6-(2,3-dihydroxyphenyl)hexoxy]benzoic acid CAS Name: 3-decoxy-5-[6-(2,3-dihydroxyphenyl)hexoxy]benzoic acid IUPAC Name: 3-decoxy-5-[6-(2,3-dihydroxyphenyl)hexoxy]benzoic acid Traditional Name: 3-decoxy-5-[6-(2,3-dihydroxyphenyl)hexoxy]benzoic acid Formula: C29H42O6 MolecularWeight: 486.64018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O6/c1-2-3-4-5-6-7-9-12-18-34-25-20-24(29(32)33)21-26(22-25)35-19-13-10-8-11-15-23-16-14-17-27(30)28(23)31/h14,16-17,20-22,30-31H,2-13,15,18-19H2,1H3,(H,32,33)