1-methyl-4-oxidanyl-4-[[2-oxidanyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-methyl-4-oxidanyl-4-[[2-oxidanyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-hydroxy-4-[[2-hydroxy-5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenoxy]methyl]-1-methyl-cyclohexanecarboxylic acid CAS Name: 4-hydroxy-4-[[2-hydroxy-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]-1-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-hydroxy-4-[[2-hydroxy-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]-1-methylcyclohexane-1-carboxylic acid Traditional Name: 4-hydroxy-4-[[2-hydroxy-5-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenoxy]methyl]-1-methyl-cyclohexanecarboxylic acid Formula: C18H22O7 MolecularWeight: 350.36308

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)(COC2=C(C=CC(=C2)C=CC(=O)O)O)O)C(=O)O

Isomeric SMILES

CC1(CCC(CC1)(COC2=C(C=CC(=C2)/C=C/C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C18H22O7/c1-17(16(22)23)6-8-18(24,9-7-17)11-25-14-10-12(2-4-13(14)19)3-5-15(20)21/h2-5,10,19,24H,6-9,11H2,1H3,(H,20,21)(H,22,23)/b5-3+