4-methyl-2,3,5-trinitro-benzenesulfonic acid

Systemtic Name: 4-methyl-2,3,5-trinitro-benzenesulfonic acid Openeye Name: 4-methyl-2,3,5-trinitro-benzenesulfonic acid CAS Name: 4-methyl-2,3,5-trinitrobenzenesulfonic acid IUPAC Name: 4-methyl-2,3,5-trinitrobenzenesulfonic acid Traditional Name: 4-methyl-2,3,5-trinitro-besylic acid Formula: C7H5N3O9S MolecularWeight: 307.1943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5N3O9S/c1-3-4(8(11)12)2-5(20(17,18)19)7(10(15)16)6(3)9(13)14/h2H,1H3,(H,17,18,19)