3-phenylsulfanyl-3,4,5,6-tetrahydro-2H-pentalen-1-one

Systemtic Name: 3-phenylsulfanyl-3,4,5,6-tetrahydro-2H-pentalen-1-one Openeye Name: 3-phenylsulfanyl-3,4,5,6-tetrahydro-2H-pentalen-1-one CAS Name: 3-(phenylthio)-3,4,5,6-tetrahydro-2H-pentalen-1-one IUPAC Name: 3-phenylsulfanyl-3,4,5,6-tetrahydro-2H-pentalen-1-one Traditional Name: 3-(phenylthio)-3,4,5,6-tetrahydro-2H-pentalen-1-one Formula: C14H14OS MolecularWeight: 230.32536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)CC2SC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)C(=O)CC2SC3=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/h1-3,5-6,14H,4,7-9H2