5-azanyl-1-[(3-azanyl-1,6-disulfo-cyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonic acid

Systemtic Name: 5-azanyl-1-[(3-azanyl-1,6-disulfo-cyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonic acid Openeye Name: 5-amino-1-[(3-amino-1,6-disulfo-cyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonic acid CAS Name: 5-amino-1-[(3-amino-1,6-disulfo-1-cyclohexa-2,4-dienyl)methyl]cyclohexa-3,5-diene-1,2-disulfonic acid IUPAC Name: 5-amino-1-[(3-amino-1,6-disulfocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonic acid Traditional Name: 5-amino-1-[(3-amino-1,6-disulfo-cyclohexa-2,4-dien-1-yl)methyl]cyclohexa-3,5-diene-1,2-disulfonic acid Formula: C13H18N2O12S4 MolecularWeight: 522.54822

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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

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

InChI

InChI=1S/C13H18N2O12S4/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)