(1S,5R)-1,3,3,5-tetramethyl-5-[(4-nitrophenyl)sulfanylmethyl]cyclohexan-1-ol

Systemtic Name: (1S,5R)-1,3,3,5-tetramethyl-5-[(4-nitrophenyl)sulfanylmethyl]cyclohexan-1-ol Openeye Name: (1S,5R)-1,3,3,5-tetramethyl-5-[(4-nitrophenyl)sulfanylmethyl]cyclohexanol CAS Name: (1S,5R)-1,3,3,5-tetramethyl-5-[[(4-nitrophenyl)thio]methyl]-1-cyclohexanol IUPAC Name: (1S,5R)-1,3,3,5-tetramethyl-5-[(4-nitrophenyl)sulfanylmethyl]cyclohexan-1-ol Traditional Name: (1S,5R)-1,3,3,5-tetramethyl-5-[[(4-nitrophenyl)thio]methyl]cyclohexanol Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)O)(C)CSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]1(C[C@@](CC(C1)(C)C)(C)O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25NO3S/c1-15(2)9-16(3,11-17(4,19)10-15)12-22-14-7-5-13(6-8-14)18(20)21/h5-8,19H,9-12H2,1-4H3/t16-,17+/m1/s1