(3aS,4R,5R,6aS)-5-chloranyl-4-(4-methylphenyl)sulfinyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dithiol-2-one

Systemtic Name: (3aS,4R,5R,6aS)-5-chloranyl-4-(4-methylphenyl)sulfinyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dithiol-2-one Openeye Name: (3aS,4R,5R,6aS)-5-chloro-4-(p-tolylsulfinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dithiol-2-one CAS Name: (3aS,4R,5R,6aS)-5-chloro-4-(4-methylphenyl)sulfinyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dithiol-2-one IUPAC Name: (3aS,4R,5R,6aS)-5-chloro-4-(4-methylphenyl)sulfinyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dithiol-2-one Traditional Name: (3aS,4R,5R,6aS)-5-chloro-4-(p-tolylsulfinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dithiol-2-one Formula: C13H13ClO2S3 MolecularWeight: 332.88912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2C(CC3C2SC(=O)S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[C@H]2[C@@H](C[C@H]3[C@@H]2SC(=O)S3)Cl

InChI

InChI=1S/C13H13ClO2S3/c1-7-2-4-8(5-3-7)19(16)12-9(14)6-10-11(12)18-13(15)17-10/h2-5,9-12H,6H2,1H3/t9-,10+,11+,12+,19?/m1/s1