1-[bis[(phenylmethyl)sulfonyl]methyl]-4-nitro-benzene

Systemtic Name: 1-[bis[(phenylmethyl)sulfonyl]methyl]-4-nitro-benzene Openeye Name: 1-[bis(benzylsulfonyl)methyl]-4-nitro-benzene CAS Name: 1-[bis[(phenylmethyl)sulfonyl]methyl]-4-nitrobenzene IUPAC Name: 1-[bis(benzylsulfonyl)methyl]-4-nitrobenzene Traditional Name: 1-[bis(benzylsulfonyl)methyl]-4-nitro-benzene Formula: C21H19NO6S2 MolecularWeight: 445.50866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19NO6S2/c23-22(24)20-13-11-19(12-14-20)21(29(25,26)15-17-7-3-1-4-8-17)30(27,28)16-18-9-5-2-6-10-18/h1-14,21H,15-16H2