3-[1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]butanal

Systemtic Name: 3-[1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]butanal Openeye Name: 3-[1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]butanal CAS Name: 3-[1-nitro-4-[(phenylthio)methyl]-1-cyclohex-3-enyl]butanal IUPAC Name: 3-[1-nitro-4-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]butanal Traditional Name: 3-[1-nitro-4-[(phenylthio)methyl]cyclohex-3-en-1-yl]butyraldehyde Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-14(9-12-19)17(18(20)21)10-7-15(8-11-17)13-22-16-5-3-2-4-6-16/h2-7,12,14H,8-11,13H2,1H3