2-methyl-1,5-dinitro-3-(phenylmethyl)sulfonyl-benzene

Systemtic Name: 2-methyl-1,5-dinitro-3-(phenylmethyl)sulfonyl-benzene Openeye Name: 1-benzylsulfonyl-2-methyl-3,5-dinitro-benzene CAS Name: 2-methyl-1,5-dinitro-3-(phenylmethyl)sulfonylbenzene IUPAC Name: 1-benzylsulfonyl-2-methyl-3,5-dinitrobenzene Traditional Name: 1-benzylsulfonyl-2-methyl-3,5-dinitro-benzene Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c1-10-13(16(19)20)7-12(15(17)18)8-14(10)23(21,22)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3