(1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane; 4-methylbenzenesulfonate

Systemtic Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane; 4-methylbenzenesulfonate Openeye Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane; 4-methylbenzenesulfonate CAS Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane; 4-methylbenzenesulfonate IUPAC Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane; 4-methylbenzenesulfonate Traditional Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane tosylate Formula: C24H32O3S2 MolecularWeight: 432.63908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC12CCC(CC1[S+]2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C@@]12CC[C@@H](C[C@@H]1[S+]2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C17H25S.C7H8O3S/c1-16(2,3)13-10-11-17(4)15(12-13)18(17)14-8-6-5-7-9-14;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,13,15H,10-12H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t13-,15-,17+,18?;/m0./s1