(3aS,6aR)-3a-(4-tert-butylphenyl)sulfanyl-6a-methyl-2,3,4,6-tetrahydropentalene-1,5-dione

Systemtic Name: (3aS,6aR)-3a-(4-tert-butylphenyl)sulfanyl-6a-methyl-2,3,4,6-tetrahydropentalene-1,5-dione Openeye Name: (3aS,6aR)-3a-(4-tert-butylphenyl)sulfanyl-6a-methyl-2,3,4,6-tetrahydropentalene-1,5-dione CAS Name: (3aS,6aR)-3a-[(4-tert-butylphenyl)thio]-6a-methyl-2,3,4,6-tetrahydropentalene-1,5-dione IUPAC Name: (3aS,6aR)-3a-(4-tert-butylphenyl)sulfanyl-6a-methyl-2,3,4,6-tetrahydropentalene-1,5-dione Traditional Name: (3aS,6aR)-3a-[(4-tert-butylphenyl)thio]-6a-methyl-2,3,4,6-tetrahydropentalene-1,5-quinone Formula: C19H24O2S MolecularWeight: 316.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)CC1(CCC2=O)SC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@]12CC(=O)C[C@]1(CCC2=O)SC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C19H24O2S/c1-17(2,3)13-5-7-15(8-6-13)22-19-10-9-16(21)18(19,4)11-14(20)12-19/h5-8H,9-12H2,1-4H3/t18-,19+/m1/s1