3,3-dimethyl-2-(4-methylsulfonylphenyl)-1-phenyl-5,8-dithiaspiro[3.4]oct-1-ene

Systemtic Name: 3,3-dimethyl-2-(4-methylsulfonylphenyl)-1-phenyl-5,8-dithiaspiro[3.4]oct-1-ene Openeye Name: 3,3-dimethyl-2-(4-methylsulfonylphenyl)-1-phenyl-5,8-dithiaspiro[3.4]oct-1-ene CAS Name: 3,3-dimethyl-2-(4-methylsulfonylphenyl)-1-phenyl-5,8-dithiaspiro[3.4]oct-1-ene IUPAC Name: 3,3-dimethyl-2-(4-methylsulfonylphenyl)-1-phenyl-5,8-dithiaspiro[3.4]oct-1-ene Traditional Name: 2-(4-mesylphenyl)-3,3-dimethyl-1-phenyl-5,8-dithiaspiro[3.4]oct-1-ene Formula: C21H22O2S3 MolecularWeight: 402.59318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C12SCCS2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C12SCCS2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C21H22O2S3/c1-20(2)18(16-9-11-17(12-10-16)26(3,22)23)19(15-7-5-4-6-8-15)21(20)24-13-14-25-21/h4-12H,13-14H2,1-3H3