4-(4-methylphenyl)sulfonyl-1-(2-phenylethynyl)cyclohexan-1-ol

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1-(2-phenylethynyl)cyclohexan-1-ol Openeye Name: 1-(2-phenylethynyl)-4-(p-tolylsulfonyl)cyclohexanol CAS Name: 4-(4-methylphenyl)sulfonyl-1-(2-phenylethynyl)-1-cyclohexanol IUPAC Name: 4-(4-methylphenyl)sulfonyl-1-(2-phenylethynyl)cyclohexan-1-ol Traditional Name: 1-(2-phenylethynyl)-4-tosyl-cyclohexanol Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CCC(CC2)(C#CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCC(CC2)(C#CC3=CC=CC=C3)O

InChI

InChI=1S/C21H22O3S/c1-17-7-9-19(10-8-17)25(23,24)20-12-15-21(22,16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20,22H,12-13,15-16H2,1H3