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

Systemtic Name: ethyl 5-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylate Openeye Name: ethyl 5-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylate CAS Name: 5-[2-(2,3,3,6,6-pentamethyl-1-cyclohexenyl)ethynyl]-3H-indene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylate Traditional Name: 5-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]-3H-indene-1-carboxylic acid ethyl ester Formula: C25H30O2 MolecularWeight: 362.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC2=C1C=CC(=C2)C#CC3=C(C(CCC3(C)C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CCC2=C1C=CC(=C2)C#CC3=C(C(CCC3(C)C)(C)C)C

InChI

InChI=1S/C25H30O2/c1-7-27-23(26)21-12-10-19-16-18(8-11-20(19)21)9-13-22-17(2)24(3,4)14-15-25(22,5)6/h8,11-12,16H,7,10,14-15H2,1-6H3