5-[(Z)-2-(2-aminophenyl)-1,2-disulfonato-ethenyl]-6-azanyl-benzene-1,2,3,4-tetrasulfonate

Systemtic Name: 5-[(Z)-2-(2-aminophenyl)-1,2-disulfonato-ethenyl]-6-azanyl-benzene-1,2,3,4-tetrasulfonate Openeye Name: 5-amino-6-[(Z)-2-(2-aminophenyl)-1,2-disulfonato-vinyl]benzene-1,2,3,4-tetrasulfonate CAS Name: 5-amino-6-[(Z)-2-(2-aminophenyl)-1,2-disulfonatoethenyl]benzene-1,2,3,4-tetrasulfonate IUPAC Name: 5-amino-6-[(Z)-2-(2-aminophenyl)-1,2-disulfonatoethenyl]benzene-1,2,3,4-tetrasulfonate Traditional Name: 5-amino-6-[(Z)-2-(2-aminophenyl)-1,2-disulfonato-vinyl]benzene-1,2,3,4-tetrasulfonate Formula: C14H8N2O18S6-6 MolecularWeight: 684.60592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=C(C2=C(C(=C(C(=C2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-])N

Isomeric SMILES

C1=CC=C(C(=C1)/C(=C(\C2=C(C(=C(C(=C2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N)/S(=O)(=O)[O-])/S(=O)(=O)[O-])N

InChI

InChI=1S/C14H14N2O18S6/c15-6-4-2-1-3-5(6)9(35(17,18)19)10(36(20,21)22)7-8(16)12(38(26,27)28)14(40(32,33)34)13(39(29,30)31)11(7)37(23,24)25/h1-4H,15-16H2,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)/p-6/b10-9-