2-(8-thiophen-2-ylnaphthalen-2-yl)ethynyl 5,5-dimethylcyclohex-3-ene-1-carboxylate

Systemtic Name: 2-(8-thiophen-2-ylnaphthalen-2-yl)ethynyl 5,5-dimethylcyclohex-3-ene-1-carboxylate Openeye Name: 2-[8-(2-thienyl)-2-naphthyl]ethynyl 5,5-dimethylcyclohex-3-ene-1-carboxylate CAS Name: 5,5-dimethyl-1-cyclohex-3-enecarboxylic acid 2-(8-thiophen-2-yl-2-naphthalenyl)ethynyl ester IUPAC Name: 2-(8-thiophen-2-ylnaphthalen-2-yl)ethynyl 5,5-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: 5,5-dimethylcyclohex-3-ene-1-carboxylic acid 2-[8-(2-thienyl)-2-naphthyl]ethynyl ester Formula: C25H22O2S MolecularWeight: 386.50598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC=C1)C(=O)OC#CC2=CC3=C(C=CC=C3C4=CC=CS4)C=C2)C

Isomeric SMILES

CC1(CC(CC=C1)C(=O)OC#CC2=CC3=C(C=CC=C3C4=CC=CS4)C=C2)C

InChI

InChI=1S/C25H22O2S/c1-25(2)13-4-7-20(17-25)24(26)27-14-12-18-10-11-19-6-3-8-21(22(19)16-18)23-9-5-15-28-23/h3-6,8-11,13,15-16,20H,7,17H2,1-2H3