methyl 2-[(3,3-dimethyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-oxidanyl-methyl]prop-2-enoate

Systemtic Name: methyl 2-[(3,3-dimethyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-oxidanyl-methyl]prop-2-enoate Openeye Name: methyl 2-[(3,3-dimethyl-6-oxo-cyclohexa-1,4-dien-1-yl)-hydroxy-methyl]prop-2-enoate CAS Name: 2-[(3,3-dimethyl-6-oxo-1-cyclohexa-1,4-dienyl)-hydroxymethyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[(3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)-hydroxymethyl]prop-2-enoate Traditional Name: 2-[hydroxy-(6-keto-3,3-dimethyl-cyclohexa-1,4-dien-1-yl)methyl]acrylic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C(=C1)C(C(=C)C(=O)OC)O)C

Isomeric SMILES

CC1(C=CC(=O)C(=C1)C(C(=C)C(=O)OC)O)C

InChI

InChI=1S/C13H16O4/c1-8(12(16)17-4)11(15)9-7-13(2,3)6-5-10(9)14/h5-7,11,15H,1H2,2-4H3