2-[3-nitro-5-(phenylmethyl)sulfonyl-phenyl]sulfanylethanoate

Systemtic Name: 2-[3-nitro-5-(phenylmethyl)sulfonyl-phenyl]sulfanylethanoate Openeye Name: 2-(3-benzylsulfonyl-5-nitro-phenyl)sulfanylacetate CAS Name: 2-[[3-nitro-5-(phenylmethyl)sulfonylphenyl]thio]acetate IUPAC Name: 2-(3-benzylsulfonyl-5-nitrophenyl)sulfanylacetate Traditional Name: 2-[(3-benzylsulfonyl-5-nitro-phenyl)thio]acetate Formula: C15H12NO6S2- MolecularWeight: 366.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO6S2/c17-15(18)9-23-13-6-12(16(19)20)7-14(8-13)24(21,22)10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)/p-1