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

Systemtic Name: 2-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-3-propyl-benzoic acid Openeye Name: 2-[6-(3,4-dihydroxyphenyl)hexoxy]-3-propyl-benzoic acid CAS Name: 2-[6-(3,4-dihydroxyphenyl)hexoxy]-3-propylbenzoic acid IUPAC Name: 2-[6-(3,4-dihydroxyphenyl)hexoxy]-3-propylbenzoic acid Traditional Name: 2-[6-(3,4-dihydroxyphenyl)hexoxy]-3-propyl-benzoic acid Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1OCCCCCCC2=CC(=C(C=C2)O)O)C(=O)O

Isomeric SMILES

CCCC1=CC=CC(=C1OCCCCCCC2=CC(=C(C=C2)O)O)C(=O)O

InChI

InChI=1S/C22H28O5/c1-2-8-17-10-7-11-18(22(25)26)21(17)27-14-6-4-3-5-9-16-12-13-19(23)20(24)15-16/h7,10-13,15,23-24H,2-6,8-9,14H2,1H3,(H,25,26)