4-methyl-3,6-dinitro-2-(phenylmethyl)benzenesulfonic acid

Systemtic Name: 4-methyl-3,6-dinitro-2-(phenylmethyl)benzenesulfonic acid Openeye Name: 2-benzyl-4-methyl-3,6-dinitro-benzenesulfonic acid CAS Name: 4-methyl-3,6-dinitro-2-(phenylmethyl)benzenesulfonic acid IUPAC Name: 2-benzyl-4-methyl-3,6-dinitrobenzenesulfonic acid Traditional Name: 2-benzyl-4-methyl-3,6-dinitro-besylic acid Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1[N+](=O)[O-])CC2=CC=CC=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1[N+](=O)[O-])CC2=CC=CC=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O7S/c1-9-7-12(15(17)18)14(24(21,22)23)11(13(9)16(19)20)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,21,22,23)