2-(3-methyl-4-nitro-phenyl)sulfanylethanol

Systemtic Name: 2-(3-methyl-4-nitro-phenyl)sulfanylethanol Openeye Name: 2-(3-methyl-4-nitro-phenyl)sulfanylethanol CAS Name: 2-[(3-methyl-4-nitrophenyl)thio]ethanol IUPAC Name: 2-(3-methyl-4-nitrophenyl)sulfanylethanol Traditional Name: 2-[(3-methyl-4-nitro-phenyl)thio]ethanol Formula: C9H11NO3S MolecularWeight: 213.25354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3S/c1-7-6-8(14-5-4-11)2-3-9(7)10(12)13/h2-3,6,11H,4-5H2,1H3