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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC(C2C(=O)C1)SC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]2C=C[C@H]([C@H]2C(=O)C1)SC3=CC=CC=C3

InChI

InChI=1S/C15H16OS/c16-13-8-4-5-11-9-10-14(15(11)13)17-12-6-2-1-3-7-12/h1-3,6-7,9-11,14-15H,4-5,8H2/t11-,14+,15+/m0/s1