2-[(3-nitrophenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]acetic acid CAS Name: 2-[(3-nitrophenyl)methylthio]acetic acid IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(3-nitrobenzyl)thio]acetic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4S/c11-9(12)6-15-5-7-2-1-3-8(4-7)10(13)14/h1-4H,5-6H2,(H,11,12)