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

Systemtic Name: 1-methyl-4-[[2-oxidanyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-hydroxy-5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenoxy]methyl]-1-methyl-cyclohexanecarboxylic acid CAS Name: 4-[[2-hydroxy-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]-1-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-hydroxy-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]-1-methylcyclohexane-1-carboxylic acid Traditional Name: 4-[[2-hydroxy-5-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenoxy]methyl]-1-methyl-cyclohexanecarboxylic acid Formula: C18H22O6 MolecularWeight: 334.36368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6/c1-18(17(22)23)8-6-13(7-9-18)11-24-15-10-12(2-4-14(15)19)3-5-16(20)21/h2-5,10,13,19H,6-9,11H2,1H3,(H,20,21)(H,22,23)/b5-3+