ethyl 2-[(1S,6R)-1-ethanoyl-5-methanoyl-6-methyl-cyclohexa-2,4-dien-1-yl]ethanoate

Systemtic Name: ethyl 2-[(1S,6R)-1-ethanoyl-5-methanoyl-6-methyl-cyclohexa-2,4-dien-1-yl]ethanoate Openeye Name: ethyl 2-[(1S,6R)-1-acetyl-5-formyl-6-methyl-cyclohexa-2,4-dien-1-yl]acetate CAS Name: 2-[(1S,6R)-1-acetyl-5-formyl-6-methyl-1-cyclohexa-2,4-dienyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S,6R)-1-acetyl-5-formyl-6-methylcyclohexa-2,4-dien-1-yl]acetate Traditional Name: 2-[(1S,6R)-1-acetyl-5-formyl-6-methyl-cyclohexa-2,4-dien-1-yl]acetic acid ethyl ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C=CC=C(C1C)C=O)C(=O)C

Isomeric SMILES

CCOC(=O)C[C@@]1(C=CC=C([C@H]1C)C=O)C(=O)C

InChI

InChI=1S/C14H18O4/c1-4-18-13(17)8-14(11(3)16)7-5-6-12(9-15)10(14)2/h5-7,9-10H,4,8H2,1-3H3/t10-,14-/m1/s1