(3aS,7aR)-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydroinden-1-one

Systemtic Name: (3aS,7aR)-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydroinden-1-one Openeye Name: (3aS,7aR)-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydroinden-1-one CAS Name: (3aS,7aR)-3-(phenylthio)-3a,4,5,6,7,7a-hexahydroinden-1-one IUPAC Name: (3aS,7aR)-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydroinden-1-one Traditional Name: (3aS,7aR)-3-(phenylthio)-3a,4,5,6,7,7a-hexahydroinden-1-one Formula: C15H16OS MolecularWeight: 244.35194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=CC2=O)SC3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H]2[C@H](C1)C(=CC2=O)SC3=CC=CC=C3

InChI

InChI=1S/C15H16OS/c16-14-10-15(13-9-5-4-8-12(13)14)17-11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2/t12-,13+/m1/s1