2-(2-azanyl-5-nitro-phenyl)sulfonyl-5-methyl-benzenesulfonic acid

Systemtic Name: 2-(2-azanyl-5-nitro-phenyl)sulfonyl-5-methyl-benzenesulfonic acid Openeye Name: 2-(2-amino-5-nitro-phenyl)sulfonyl-5-methyl-benzenesulfonic acid CAS Name: 2-(2-amino-5-nitrophenyl)sulfonyl-5-methylbenzenesulfonic acid IUPAC Name: 2-(2-amino-5-nitrophenyl)sulfonyl-5-methylbenzenesulfonic acid Traditional Name: 2-(2-amino-5-nitro-phenyl)sulfonyl-5-methyl-besylic acid Formula: C13H12N2O7S2 MolecularWeight: 372.37358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O7S2/c1-8-2-5-11(13(6-8)24(20,21)22)23(18,19)12-7-9(15(16)17)3-4-10(12)14/h2-7H,14H2,1H3,(H,20,21,22)