3-oxidanylidene-2-(3-oxidanylidene-5,7-disulfo-1H-indol-2-ylidene)-1H-indole-5,7-disulfonic acid

Systemtic Name: 3-oxidanylidene-2-(3-oxidanylidene-5,7-disulfo-1H-indol-2-ylidene)-1H-indole-5,7-disulfonic acid Openeye Name: 3-oxo-2-(3-oxo-5,7-disulfo-indolin-2-ylidene)indoline-5,7-disulfonic acid CAS Name: 3-oxo-2-(3-oxo-5,7-disulfo-1H-indol-2-ylidene)-1H-indole-5,7-disulfonic acid IUPAC Name: 3-oxo-2-(3-oxo-5,7-disulfo-1H-indol-2-ylidene)-1H-indole-5,7-disulfonic acid Traditional Name: 3-keto-2-(3-keto-5,7-disulfo-indolin-2-ylidene)indoline-5,7-disulfonic acid Formula: C16H10N2O14S4 MolecularWeight: 582.5156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1S(=O)(=O)O)NC(=C3C(=O)C4=CC(=CC(=C4N3)S(=O)(=O)O)S(=O)(=O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C2C(=C1S(=O)(=O)O)NC(=C3C(=O)C4=CC(=CC(=C4N3)S(=O)(=O)O)S(=O)(=O)O)C2=O)S(=O)(=O)O

InChI

InChI=1S/C16H10N2O14S4/c19-15-7-1-5(33(21,22)23)3-9(35(27,28)29)11(7)17-13(15)14-16(20)8-2-6(34(24,25)26)4-10(12(8)18-14)36(30,31)32/h1-4,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)