ethyl 5-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]sulfonylcyclohexa-1,3-diene-1-carboxylate

Systemtic Name: ethyl 5-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]sulfonylcyclohexa-1,3-diene-1-carboxylate Openeye Name: ethyl 5-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]sulfonylcyclohexa-1,3-diene-1-carboxylate CAS Name: 5-[[4-(2-phenylethynyl)-1-cyclohex-3-enyl]sulfonyl]-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]sulfonylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 5-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]sulfonylcyclohexa-1,3-diene-1-carboxylic acid ethyl ester Formula: C23H24O4S MolecularWeight: 396.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(C1)S(=O)(=O)C2CCC(=CC2)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC(C1)S(=O)(=O)C2CCC(=CC2)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H24O4S/c1-2-27-23(24)20-9-6-10-22(17-20)28(25,26)21-15-13-19(14-16-21)12-11-18-7-4-3-5-8-18/h3-10,13,21-22H,2,14-17H2,1H3