pentapotassium [2-(3,4-disulfonatooxyphenyl)-3,5-disulfonatooxy-3,4-dihydro-2H-chromen-7-yl] sulfate

Systemtic Name: pentapotassium [2-(3,4-disulfonatooxyphenyl)-3,5-disulfonatooxy-3,4-dihydro-2H-chromen-7-yl] sulfate Openeye Name: pentapotassium [2-(3,4-disulfonatooxyphenyl)-3,5-disulfonatooxy-chroman-7-yl] sulfate CAS Name: pentapotassium [2-(3,4-disulfonatooxyphenyl)-3,5-disulfonatooxy-3,4-dihydro-2H-1-benzopyran-7-yl] sulfate IUPAC Name: pentapotassium [2-(3,4-disulfonatooxyphenyl)-3,5-disulfonatooxy-3,4-dihydro-2H-chromen-7-yl] sulfate Traditional Name: pentapotassium [2-(3,4-disulfatophenyl)-3,5-disulfato-chroman-7-yl] sulfate Formula: C15H9K5O21S5 MolecularWeight: 881.03586

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C3=CC(=C(C=C3)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+]

Isomeric SMILES

C1C(C(OC2=CC(=CC(=C21)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C3=CC(=C(C=C3)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C15H14O21S5.5K/c16-37(17,18)32-8-4-11-9(12(5-8)34-39(22,23)24)6-14(36-41(28,29)30)15(31-11)7-1-2-10(33-38(19,20)21)13(3-7)35-40(25,26)27;;;;;/h1-5,14-15H,6H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30);;;;;/q;5*+1/p-5