5-methyl-1-[1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]hex-4-en-1-ol

Systemtic Name: 5-methyl-1-[1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]hex-4-en-1-ol Openeye Name: 5-methyl-1-[1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]hex-4-en-1-ol CAS Name: 5-methyl-1-[1-nitro-4-[(phenylthio)methyl]-1-cyclohex-3-enyl]-4-hexen-1-ol IUPAC Name: 5-methyl-1-[1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]hex-4-en-1-ol Traditional Name: 5-methyl-1-[1-nitro-4-[(phenylthio)methyl]cyclohex-3-en-1-yl]hex-4-en-1-ol Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3S/c1-16(2)7-6-10-19(22)20(21(23)24)13-11-17(12-14-20)15-25-18-8-4-3-5-9-18/h3-5,7-9,11,19,22H,6,10,12-15H2,1-2H3