(4S,6R)-2-methyl-6-[(1S)-1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]hept-2-en-4-ol

Systemtic Name: (4S,6R)-2-methyl-6-[(1S)-1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]hept-2-en-4-ol Openeye Name: (4S,6R)-2-methyl-6-[(1S)-1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]hept-2-en-4-ol CAS Name: (4S,6R)-2-methyl-6-[(1S)-1-nitro-4-[(phenylthio)methyl]-1-cyclohex-3-enyl]-2-hepten-4-ol IUPAC Name: (4S,6R)-2-methyl-6-[(1S)-1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]hept-2-en-4-ol Traditional Name: (4S,6R)-2-methyl-6-[(1S)-1-nitro-4-[(phenylthio)methyl]cyclohex-3-en-1-yl]hept-2-en-4-ol Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C[C@@H](C=C(C)C)O)[C@@]1(CCC(=CC1)CSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H29NO3S/c1-16(2)13-19(23)14-17(3)21(22(24)25)11-9-18(10-12-21)15-26-20-7-5-4-6-8-20/h4-9,13,17,19,23H,10-12,14-15H2,1-3H3/t17-,19-,21-/m1/s1