(7-acetyloxy-3,6,6-trimethyl-4-oxidanylidene-cyclohept-2-en-1-yl) (E)-3-phenylprop-2-enoate

Systemtic Name: (7-acetyloxy-3,6,6-trimethyl-4-oxidanylidene-cyclohept-2-en-1-yl) (E)-3-phenylprop-2-enoate Openeye Name: (7-acetoxy-3,6,6-trimethyl-4-oxo-cyclohept-2-en-1-yl) (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid (7-acetyloxy-3,6,6-trimethyl-4-oxo-1-cyclohept-2-enyl) ester IUPAC Name: (7-acetyloxy-3,6,6-trimethyl-4-oxocyclohept-2-en-1-yl) (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid (7-acetoxy-4-keto-3,6,6-trimethyl-cyclohept-2-en-1-yl) ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C)OC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C)OC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H24O5/c1-14-12-18(20(25-15(2)22)21(3,4)13-17(14)23)26-19(24)11-10-16-8-6-5-7-9-16/h5-12,18,20H,13H2,1-4H3/b11-10+