1-phenylsulfanyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione

Systemtic Name: 1-phenylsulfanyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione Openeye Name: 1-phenylsulfanyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione CAS Name: 1-(phenylthio)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione IUPAC Name: 1-phenylsulfanyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione Traditional Name: 1-(phenylthio)-1,3,3a,4,6,6a-hexahydropentalene-2,5-quinone Formula: C14H14O2S MolecularWeight: 246.32476

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)C(C2CC1=O)SC3=CC=CC=C3

Isomeric SMILES

C1C2CC(=O)C(C2CC1=O)SC3=CC=CC=C3

InChI

InChI=1S/C14H14O2S/c15-10-6-9-7-13(16)14(12(9)8-10)17-11-4-2-1-3-5-11/h1-5,9,12,14H,6-8H2