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

Systemtic Name: 4-[4-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-butoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[4-(3,4-dihydroxyphenyl)-4-oxo-butoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[4-(3,4-dihydroxyphenyl)-4-oxobutoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-4-oxobutoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[4-(3,4-dihydroxyphenyl)-4-keto-butoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C20H22O7 MolecularWeight: 374.38448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O7/c1-2-4-13-18(9-7-14(19(13)24)20(25)26)27-10-3-5-15(21)12-6-8-16(22)17(23)11-12/h6-9,11,22-24H,2-5,10H2,1H3,(H,25,26)