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

Systemtic Name: 4-[4-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-butoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[4-(3,4-dihydroxy-2,5-dimethyl-phenyl)-4-oxo-butoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[4-(3,4-dihydroxy-2,5-dimethylphenyl)-4-oxobutoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[4-(3,4-dihydroxy-2,5-dimethylphenyl)-4-oxobutoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[4-(3,4-dihydroxy-2,5-dimethyl-phenyl)-4-keto-butoxy]-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)OCCCC(=O)C2=CC(=C(C(=C2C)O)O)C

Isomeric SMILES

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

InChI

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