2-azanyl-6-[(3-azanyl-2,2-dimethyl-propyl)amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 2-azanyl-6-[(3-azanyl-2,2-dimethyl-propyl)amino]-3-nitro-benzenesulfonic acid Openeye Name: 2-amino-6-[(3-amino-2,2-dimethyl-propyl)amino]-3-nitro-benzenesulfonic acid CAS Name: 2-amino-6-[(3-amino-2,2-dimethylpropyl)amino]-3-nitrobenzenesulfonic acid IUPAC Name: 2-amino-6-[(3-amino-2,2-dimethylpropyl)amino]-3-nitrobenzenesulfonic acid Traditional Name: 2-amino-6-[(3-amino-2,2-dimethyl-propyl)amino]-3-nitro-besylic acid Formula: C11H18N4O5S MolecularWeight: 318.34942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC1=C(C(=C(C=C1)[N+](=O)[O-])N)S(=O)(=O)O

Isomeric SMILES

CC(C)(CN)CNC1=C(C(=C(C=C1)[N+](=O)[O-])N)S(=O)(=O)O

InChI

InChI=1S/C11H18N4O5S/c1-11(2,5-12)6-14-7-3-4-8(15(16)17)9(13)10(7)21(18,19)20/h3-4,14H,5-6,12-13H2,1-2H3,(H,18,19,20)