4-[[4-ethanoyl-3-oxidanyl-2-(4-oxidanyl-4-oxidanylidene-butyl)phenoxy]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-ethanoyl-3-oxidanyl-2-(4-oxidanyl-4-oxidanylidene-butyl)phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[4-acetyl-3-hydroxy-2-(4-hydroxy-4-oxo-butyl)phenoxy]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-acetyl-3-hydroxy-2-(4-hydroxy-4-oxobutyl)phenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[4-acetyl-3-hydroxy-2-(4-hydroxy-4-oxobutyl)phenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[4-acetyl-3-hydroxy-2-(4-hydroxy-4-keto-butyl)phenoxy]methyl]-3-methoxy-benzoic acid Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)CCCC(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)CCCC(=O)O)O

InChI

InChI=1S/C21H22O8/c1-12(22)15-8-9-17(16(20(15)25)4-3-5-19(23)24)29-11-14-7-6-13(21(26)27)10-18(14)28-2/h6-10,25H,3-5,11H2,1-2H3,(H,23,24)(H,26,27)