disodium 5-azanyl-1-[(3-azanyl-1,6-disulfonato-cyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonate

Systemtic Name: disodium 5-azanyl-1-[(3-azanyl-1,6-disulfonato-cyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonate Openeye Name: disodium 5-amino-1-[(3-amino-1,6-disulfonato-cyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonate CAS Name: disodium 5-amino-1-[(3-amino-1,6-disulfonato-1-cyclohexa-2,4-dienyl)methyl]cyclohexa-3,5-diene-1,2-disulfonate IUPAC Name: disodium 5-amino-1-[(3-amino-1,6-disulfonatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonate Traditional Name: disodium 5-amino-1-[(3-amino-1,6-disulfonato-cyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonate Formula: C13H14N2Na2O12S4-2 MolecularWeight: 564.496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(C1S(=O)(=O)[O-])(CC2(C=C(C=CC2S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(C1S(=O)(=O)[O-])(CC2(C=C(C=CC2S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C13H18N2O12S4.2Na/c14-8-1-3-10(28(16,17)18)12(5-8,30(22,23)24)7-13(31(25,26)27)6-9(15)2-4-11(13)29(19,20)21;;/h1-6,10-11H,7,14-15H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-4