(4-methylphenyl)sulfonylmethyl 2,4,6-trinitrobenzenesulfonate

Systemtic Name: (4-methylphenyl)sulfonylmethyl 2,4,6-trinitrobenzenesulfonate Openeye Name: p-tolylsulfonylmethyl 2,4,6-trinitrobenzenesulfonate CAS Name: 2,4,6-trinitrobenzenesulfonic acid (4-methylphenyl)sulfonylmethyl ester IUPAC Name: (4-methylphenyl)sulfonylmethyl 2,4,6-trinitrobenzenesulfonate Traditional Name: 2,4,6-trinitrobenzenesulfonic acid tosylmethyl ester Formula: C14H11N3O11S2 MolecularWeight: 461.38064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)COS(=O)(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)COS(=O)(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O11S2/c1-9-2-4-11(5-3-9)29(24,25)8-28-30(26,27)14-12(16(20)21)6-10(15(18)19)7-13(14)17(22)23/h2-7H,8H2,1H3