ethyl 5-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylate

Systemtic Name: ethyl 5-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylate Openeye Name: ethyl 5-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylate CAS Name: 5-[2-(6,6-dimethyl-1-cyclohexenyl)ethynyl]-3H-indene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylate Traditional Name: 5-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylic acid ethyl ester Formula: C22H24O2 MolecularWeight: 320.42476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC2=C1C=CC(=C2)C#CC3=CCCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CCC2=C1C=CC(=C2)C#CC3=CCCCC3(C)C

InChI

InChI=1S/C22H24O2/c1-4-24-21(23)20-13-10-17-15-16(9-12-19(17)20)8-11-18-7-5-6-14-22(18,2)3/h7,9,12-13,15H,4-6,10,14H2,1-3H3