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

Systemtic Name: 4-[4-[3,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-4-oxidanylidene-butoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(3,4-dihydroxy-5-isopropyl-phenyl)-4-oxo-butoxy]-2-hydroxy-benzoic acid CAS Name: 4-[4-(3,4-dihydroxy-5-propan-2-ylphenyl)-4-oxobutoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[4-(3,4-dihydroxy-5-propan-2-ylphenyl)-4-oxobutoxy]-2-hydroxybenzoic acid Traditional Name: 4-[4-(3,4-dihydroxy-5-isopropyl-phenyl)-4-keto-butoxy]-2-hydroxy-benzoic acid Formula: C20H22O7 MolecularWeight: 374.38448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)C(=O)CCCOC2=CC(=C(C=C2)C(=O)O)O)O)O

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)C(=O)CCCOC2=CC(=C(C=C2)C(=O)O)O)O)O

InChI

InChI=1S/C20H22O7/c1-11(2)15-8-12(9-18(23)19(15)24)16(21)4-3-7-27-13-5-6-14(20(25)26)17(22)10-13/h5-6,8-11,22-24H,3-4,7H2,1-2H3,(H,25,26)