1-nitro-4-(1-nitro-2-phenyl-ethyl)sulfonyl-benzene

Systemtic Name: 1-nitro-4-(1-nitro-2-phenyl-ethyl)sulfonyl-benzene Openeye Name: 1-nitro-4-(1-nitro-2-phenyl-ethyl)sulfonyl-benzene CAS Name: 1-nitro-4-(1-nitro-2-phenylethyl)sulfonylbenzene IUPAC Name: 1-nitro-4-(1-nitro-2-phenylethyl)sulfonylbenzene Traditional Name: 1-nitro-4-(1-nitro-2-phenyl-ethyl)sulfonyl-benzene Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S/c17-15(18)12-6-8-13(9-7-12)23(21,22)14(16(19)20)10-11-4-2-1-3-5-11/h1-9,14H,10H2