4-azanyl-3-[(6-azanyl-2,3-disulfo-phenyl)methyl]benzene-1,2-disulfonic acid

Systemtic Name: 4-azanyl-3-[(6-azanyl-2,3-disulfo-phenyl)methyl]benzene-1,2-disulfonic acid Openeye Name: 4-amino-3-[(6-amino-2,3-disulfo-phenyl)methyl]benzene-1,2-disulfonic acid CAS Name: 4-amino-3-[(6-amino-2,3-disulfophenyl)methyl]benzene-1,2-disulfonic acid IUPAC Name: 4-amino-3-[(6-amino-2,3-disulfophenyl)methyl]benzene-1,2-disulfonic acid Traditional Name: 4-amino-3-(6-amino-2,3-disulfo-benzyl)benzene-1,2-disulfonic acid Formula: C13H14N2O12S4 MolecularWeight: 518.51646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N)CC2=C(C=CC(=C2S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1N)CC2=C(C=CC(=C2S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O12S4/c14-8-1-3-10(28(16,17)18)12(30(22,23)24)6(8)5-7-9(15)2-4-11(29(19,20)21)13(7)31(25,26)27/h1-4H,5,14-15H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)