4-[6-[3,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-[3,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(3,4-dihydroxy-5-isopropyl-phenyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dihydroxy-5-propan-2-ylphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dihydroxy-5-propan-2-ylphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(3,4-dihydroxy-5-isopropyl-phenyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C25H32O7 MolecularWeight: 444.51738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O7/c1-4-8-17-22(11-10-18(23(17)28)25(30)31)32-12-7-5-6-9-20(26)16-13-19(15(2)3)24(29)21(27)14-16/h10-11,13-15,27-29H,4-9,12H2,1-3H3,(H,30,31)