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

Systemtic Name: 4-[6-[3,4-bis(oxidanyl)phenyl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(3,4-dihydroxyphenyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dihydroxyphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dihydroxyphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(3,4-dihydroxyphenyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O7/c1-2-6-15-20(11-9-16(21(15)26)22(27)28)29-12-5-3-4-7-17(23)14-8-10-18(24)19(25)13-14/h8-11,13,24-26H,2-7,12H2,1H3,(H,27,28)