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

Systemtic Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane Openeye Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane CAS Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane IUPAC Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane Traditional Name: (1S,3S,6R)-3-tert-butyl-6-methyl-7-phenyl-7-thioniabicyclo[4.1.0]heptane Formula: C17H25S+ MolecularWeight: 261.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1[S+]2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

C[C@@]12CC[C@@H](C[C@@H]1[S+]2C3=CC=CC=C3)C(C)(C)C

InChI

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