1-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentan-1-ol

Systemtic Name: 1-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentan-1-ol Openeye Name: 1-amino-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentan-1-ol CAS Name: 5-methyl-2-nitrobenzenesulfenic acid (5-amino-5-hydroxypentyl) ester IUPAC Name: 1-amino-5-(5-methyl-2-nitrophenyl)sulfanyloxypentan-1-ol Traditional Name: 1-amino-5-[(5-methyl-2-nitro-phenyl)thio]oxy-pentan-1-ol Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-9-5-6-10(14(16)17)11(8-9)19-18-7-3-2-4-12(13)15/h5-6,8,12,15H,2-4,7,13H2,1H3