2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]acetic acid IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]acetic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/c1-7-8(5-16-6-10(12)13)3-2-4-9(7)11(14)15/h2-4H,5-6H2,1H3,(H,12,13)