tetrasodium 5-oxidanyl-6-sulfonatooxy-4-(1-sulfonato-6-sulfonatooxy-indol-5-yl)oxy-indole-1-sulfonate

Systemtic Name: tetrasodium 5-oxidanyl-6-sulfonatooxy-4-(1-sulfonato-6-sulfonatooxy-indol-5-yl)oxy-indole-1-sulfonate Openeye Name: tetrasodium 5-hydroxy-6-sulfonatooxy-4-(1-sulfonato-6-sulfonatooxy-indol-5-yl)oxy-indole-1-sulfonate CAS Name: tetrasodium 5-hydroxy-6-sulfonatooxy-4-[(1-sulfonato-6-sulfonatooxy-5-indolyl)oxy]-1-indolesulfonate IUPAC Name: tetrasodium 5-hydroxy-6-sulfonatooxy-4-(1-sulfonato-6-sulfonatooxyindol-5-yl)oxyindole-1-sulfonate Traditional Name: tetrasodium 5-hydroxy-6-sulfato-4-(6-sulfato-1-sulfonato-indol-5-yl)oxy-indole-1-sulfonate Formula: C16H8N2Na4O16S4 MolecularWeight: 704.4576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=CC(=C(C=C21)OC3=C4C=CN(C4=CC(=C3O)OS(=O)(=O)[O-])S(=O)(=O)[O-])OS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CN(C2=CC(=C(C=C21)OC3=C4C=CN(C4=CC(=C3O)OS(=O)(=O)[O-])S(=O)(=O)[O-])OS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H12N2O16S4.4Na/c19-15-14(34-38(29,30)31)7-11-9(2-4-18(11)36(23,24)25)16(15)32-12-5-8-1-3-17(35(20,21)22)10(8)6-13(12)33-37(26,27)28;;;;/h1-7,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4