methylsulfanylmethyl 4-nitrobenzoate

Systemtic Name: methylsulfanylmethyl 4-nitrobenzoate Openeye Name: methylsulfanylmethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (methylthio)methyl ester Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4S/c1-15-6-14-9(11)7-2-4-8(5-3-7)10(12)13/h2-5H,6H2,1H3