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

Systemtic Name: 4-[6-[3,4-bis(oxidanyl)-2-propan-2-yl-phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(3,4-dihydroxy-2-isopropyl-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dihydroxy-2-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dihydroxy-2-propan-2-ylphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(3,4-dihydroxy-2-isopropyl-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC2=C(C(=C(C=C2)O)O)C(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC2=C(C(=C(C=C2)O)O)C(C)C

InChI

InChI=1S/C25H34O6/c1-4-9-18-21(14-12-19(23(18)27)25(29)30)31-15-8-6-5-7-10-17-11-13-20(26)24(28)22(17)16(2)3/h11-14,16,26-28H,4-10,15H2,1-3H3,(H,29,30)