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

Systemtic Name: 4-[6-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(3,4-dihydroxy-2,5-dimethyl-phenyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(3,4-dihydroxy-2,5-dimethylphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(3,4-dihydroxy-2,5-dimethylphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(3,4-dihydroxy-2,5-dimethyl-phenyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C24H30O7 MolecularWeight: 430.4908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC(=C(C(=C2C)O)O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC(=C(C(=C2C)O)O)C

InChI

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