2-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-5-decoxy-benzoic acid

Systemtic Name: 2-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-5-decoxy-benzoic acid Openeye Name: 5-decoxy-2-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid CAS Name: 5-decoxy-2-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid IUPAC Name: 5-decoxy-2-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid Traditional Name: 5-decoxy-2-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid Formula: C29H42O6 MolecularWeight: 486.64018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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