dimethyl 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(4,5-dimethyl-1-cyclohexa-1,4-dienyl)methyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-propargyl-malonic acid dimethyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O4/c1-6-9-17(15(18)20-4,16(19)21-5)11-14-8-7-12(2)13(3)10-14/h1,8H,7,9-11H2,2-5H3