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

Systemtic Name: 2-acetyloxy-4-[6-[3,4-bis(oxidanyl)phenyl]hexoxy]-3-propyl-benzoic acid Openeye Name: 2-acetoxy-4-[6-(3,4-dihydroxyphenyl)hexoxy]-3-propyl-benzoic acid CAS Name: 2-acetyloxy-4-[6-(3,4-dihydroxyphenyl)hexoxy]-3-propylbenzoic acid IUPAC Name: 2-acetyloxy-4-[6-(3,4-dihydroxyphenyl)hexoxy]-3-propylbenzoic acid Traditional Name: 2-acetoxy-4-[6-(3,4-dihydroxyphenyl)hexoxy]-3-propyl-benzoic acid Formula: C24H30O7 MolecularWeight: 430.4908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)O)OCCCCCCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)O)OCCCCCCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C24H30O7/c1-3-8-18-22(13-11-19(24(28)29)23(18)31-16(2)25)30-14-7-5-4-6-9-17-10-12-20(26)21(27)15-17/h10-13,15,26-27H,3-9,14H2,1-2H3,(H,28,29)