disodium 4-azido-3-[(6-azido-2,3-disulfonato-phenyl)methyl]benzene-1,2-disulfonate

Systemtic Name: disodium 4-azido-3-[(6-azido-2,3-disulfonato-phenyl)methyl]benzene-1,2-disulfonate Openeye Name: disodium 4-azido-3-[(6-azido-2,3-disulfonato-phenyl)methyl]benzene-1,2-disulfonate CAS Name: disodium 4-azido-3-[(6-azido-2,3-disulfonatophenyl)methyl]benzene-1,2-disulfonate IUPAC Name: disodium 4-azido-3-[(6-azido-2,3-disulfonatophenyl)methyl]benzene-1,2-disulfonate Traditional Name: disodium 4-azido-3-(6-azido-2,3-disulfonato-benzyl)benzene-1,2-disulfonate Formula: C13H6N6Na2O12S4-2 MolecularWeight: 612.45928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N=[N+]=[N-])CC2=C(C=CC(=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=[N+]=[N-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1N=[N+]=[N-])CC2=C(C=CC(=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=[N+]=[N-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H10N6O12S4.2Na/c14-18-16-8-1-3-10(32(20,21)22)12(34(26,27)28)6(8)5-7-9(17-19-15)2-4-11(33(23,24)25)13(7)35(29,30)31;;/h1-4H,5H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-4