1-methyl-3-nitro-benzene; 3-sulfanylpropane-1,2-diol

Systemtic Name: 1-methyl-3-nitro-benzene; 3-sulfanylpropane-1,2-diol Openeye Name: 1-methyl-3-nitro-benzene; 3-sulfanylpropane-1,2-diol CAS Name: 3-mercaptopropane-1,2-diol; 1-methyl-3-nitrobenzene IUPAC Name: 1-methyl-3-nitrobenzene; 3-sulfanylpropane-1,2-diol Traditional Name: 3-mercaptopropane-1,2-diol; 1-methyl-3-nitro-benzene Formula: C10H15NO4S MolecularWeight: 245.2954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.C3H8O2S/c1-6-3-2-4-7(5-6)8(9)10;4-1-3(5)2-6/h2-5H,1H3;3-6H,1-2H2