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

Systemtic Name: 2-[6-[2,3-bis(oxidanyl)phenyl]hexoxy]-3-decoxy-benzoic acid Openeye Name: 3-decoxy-2-[6-(2,3-dihydroxyphenyl)hexoxy]benzoic acid CAS Name: 3-decoxy-2-[6-(2,3-dihydroxyphenyl)hexoxy]benzoic acid IUPAC Name: 3-decoxy-2-[6-(2,3-dihydroxyphenyl)hexoxy]benzoic acid Traditional Name: 3-decoxy-2-[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(=C1OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC(=C1OCCCCCCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

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