4-[(3-azanyl-5-chloranyl-1,3,5-triazinan-1-yl)amino]benzene-1,3-disulfonic acid

Systemtic Name: 4-[(3-azanyl-5-chloranyl-1,3,5-triazinan-1-yl)amino]benzene-1,3-disulfonic acid Openeye Name: 4-[(3-amino-5-chloro-1,3,5-triazinan-1-yl)amino]benzene-1,3-disulfonic acid CAS Name: 4-[(3-amino-5-chloro-1,3,5-triazinan-1-yl)amino]benzene-1,3-disulfonic acid IUPAC Name: 4-[(3-amino-5-chloro-1,3,5-triazinan-1-yl)amino]benzene-1,3-disulfonic acid Traditional Name: 4-[(3-amino-5-chloro-1,3,5-triazinan-1-yl)amino]benzene-1,3-disulfonic acid Formula: C9H14ClN5O6S2 MolecularWeight: 387.82036

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CN(CN1NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)Cl)N

Isomeric SMILES

C1N(CN(CN1NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)Cl)N

InChI

InChI=1S/C9H14ClN5O6S2/c10-13-4-14(11)6-15(5-13)12-8-2-1-7(22(16,17)18)3-9(8)23(19,20)21/h1-3,12H,4-6,11H2,(H,16,17,18)(H,19,20,21)