(phenylmethyl) 2-(2,4-dinitrophenyl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(2,4-dinitrophenyl)sulfanylethanoate Openeye Name: benzyl 2-(2,4-dinitrophenyl)sulfanylacetate CAS Name: 2-[(2,4-dinitrophenyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,4-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2,4-dinitrophenyl)thio]acetic acid benzyl ester Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6S/c18-15(23-9-11-4-2-1-3-5-11)10-24-14-7-6-12(16(19)20)8-13(14)17(21)22/h1-8H,9-10H2