(1S,4aS,9aS)-1-propan-2-yl-2,4,4a,9a-tetrahydro-1H-thioxanthene-3,9-dione

Systemtic Name: (1S,4aS,9aS)-1-propan-2-yl-2,4,4a,9a-tetrahydro-1H-thioxanthene-3,9-dione Openeye Name: (1S,4aS,9aS)-1-isopropyl-2,4,4a,9a-tetrahydro-1H-thioxanthene-3,9-dione CAS Name: (1S,4aS,9aS)-1-propan-2-yl-2,4,4a,9a-tetrahydro-1H-thioxanthene-3,9-dione IUPAC Name: (1S,4aS,9aS)-1-propan-2-yl-2,4,4a,9a-tetrahydro-1H-thioxanthene-3,9-dione Traditional Name: (1S,4aS,9aS)-1-isopropyl-2,4,4a,9a-tetrahydro-1H-thioxanthene-3,9-quinone Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(=O)CC2C1C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC(C)[C@@H]1CC(=O)C[C@H]2[C@@H]1C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C16H18O2S/c1-9(2)12-7-10(17)8-14-15(12)16(18)11-5-3-4-6-13(11)19-14/h3-6,9,12,14-15H,7-8H2,1-2H3/t12-,14-,15+/m0/s1