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

Systemtic Name: tetrasodium 5-methoxy-6-sulfonatooxy-4-(1-sulfonato-6-sulfonatooxy-indol-5-yl)oxy-indole-1-sulfonate Openeye Name: tetrasodium 5-methoxy-6-sulfonatooxy-4-(1-sulfonato-6-sulfonatooxy-indol-5-yl)oxy-indole-1-sulfonate CAS Name: tetrasodium 5-methoxy-6-sulfonatooxy-4-[(1-sulfonato-6-sulfonatooxy-5-indolyl)oxy]-1-indolesulfonate IUPAC Name: tetrasodium 5-methoxy-6-sulfonatooxy-4-(1-sulfonato-6-sulfonatooxyindol-5-yl)oxyindole-1-sulfonate Traditional Name: tetrasodium 5-methoxy-6-sulfato-4-(6-sulfato-1-sulfonato-indol-5-yl)oxy-indole-1-sulfonate Formula: C17H10N2Na4O16S4 MolecularWeight: 718.48418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1OC3=C(C=C4C(=C3)C=CN4S(=O)(=O)[O-])OS(=O)(=O)[O-])C=CN2S(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C2C(=C1OC3=C(C=C4C(=C3)C=CN4S(=O)(=O)[O-])OS(=O)(=O)[O-])C=CN2S(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H14N2O16S4.4Na/c1-32-17-15(35-39(29,30)31)8-12-10(3-5-19(12)37(23,24)25)16(17)33-13-6-9-2-4-18(36(20,21)22)11(9)7-14(13)34-38(26,27)28;;;;/h2-8H,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4