phenyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: phenyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: phenyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid phenyl ester IUPAC Name: phenyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid phenyl ester Formula: C15H13NO6S2 MolecularWeight: 367.39682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO6S2/c1-24(20,21)12-7-8-14(13(9-12)16(18)19)23-10-15(17)22-11-5-3-2-4-6-11/h2-9H,10H2,1H3