(3aS,6aR)-3-phenylsulfanyl-4,5,6,6a-tetrahydro-3aH-pentalen-1-one

Systemtic Name: (3aS,6aR)-3-phenylsulfanyl-4,5,6,6a-tetrahydro-3aH-pentalen-1-one Openeye Name: (3aS,6aR)-3-phenylsulfanyl-4,5,6,6a-tetrahydro-3aH-pentalen-1-one CAS Name: (3aS,6aR)-3-(phenylthio)-4,5,6,6a-tetrahydro-3aH-pentalen-1-one IUPAC Name: (3aS,6aR)-3-phenylsulfanyl-4,5,6,6a-tetrahydro-3aH-pentalen-1-one Traditional Name: (3aS,6aR)-3-(phenylthio)-4,5,6,6a-tetrahydro-3aH-pentalen-1-one Formula: C14H14OS MolecularWeight: 230.32536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C1)C(=O)C=C2SC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]2[C@@H](C1)C(=O)C=C2SC3=CC=CC=C3

InChI

InChI=1S/C14H14OS/c15-13-9-14(12-8-4-7-11(12)13)16-10-5-2-1-3-6-10/h1-3,5-6,9,11-12H,4,7-8H2/t11-,12+/m1/s1