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

Systemtic Name: 2-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentan-1-ol Openeye Name: 2-amino-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentan-1-ol CAS Name: 5-methyl-2-nitrobenzenesulfenic acid (4-amino-5-hydroxypentyl) ester IUPAC Name: 2-amino-5-(5-methyl-2-nitrophenyl)sulfanyloxypentan-1-ol Traditional Name: 2-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-])SOCCCC(CO)N

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-9-4-5-11(14(16)17)12(7-9)19-18-6-2-3-10(13)8-15/h4-5,7,10,15H,2-3,6,8,13H2,1H3