1-trimethylsilylethyl 4-[(E)-4-(2-methyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate

Systemtic Name: 1-trimethylsilylethyl 4-[(E)-4-(2-methyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: 1-trimethylsilylethyl 4-[(E)-4-(2-methyl-6-oxo-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(2-methyl-6-oxo-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid 1-trimethylsilylethyl ester IUPAC Name: 1-trimethylsilylethyl 4-[(E)-4-(2-methyl-6-oxocyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-keto-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid 1-trimethylsilylethyl ester Formula: C23H28O3Si MolecularWeight: 380.55212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CCC1)C=CC#CC2=CC=C(C=C2)C(=O)OC(C)[Si](C)(C)C

Isomeric SMILES

CC1=C(C(=O)CCC1)/C=C/C#CC2=CC=C(C=C2)C(=O)OC(C)[Si](C)(C)C

InChI

InChI=1S/C23H28O3Si/c1-17-9-8-12-22(24)21(17)11-7-6-10-19-13-15-20(16-14-19)23(25)26-18(2)27(3,4)5/h7,11,13-16,18H,8-9,12H2,1-5H3/b11-7+