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tetrapotassium 3,3'-dioxo-1,2-dihydro-[2,2'-biindole]-5,5',7,7'-tetrasulfonate

tetrapotassium 3,3'-dioxo-1,2-dihydro-[2,2'-biindole]-5,5',7,7'-tetrasulfonate

CAS: 28699-96-9

Formula: C16H6K4N2O14S4

SMILES: [K+].[K+].[K+].[K+].[O-]S(=O)(=O)C1=CC2=C(NC(C2=O)C2=NC3=C(C=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O)C2=O)C(=C1)S([O-])(=O)=O

IUPAC: tetrapotassium 3,3'-dioxo-2,3-dihydro-1H,3'H-[2,2'-biindole]-5,5',7,7'-tetrasulfonate

InChI: InChI=1/C16H10N2O14S4.4K/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;;;;/h1-4,13,17H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;;/q;4*+1/p-4

Composition: C (26.15%), H (0.82%), K (21.28%), N (3.81%), O (30.48%), S (17.45%)

Molar Mass: 734.86

Atom Count: 46

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 733.72501354
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 16
Hydrogen Bond Donor Count 1
InChIKey VVZKOKCXGJSSAJ-UHFFFAOYNA-J
Lipinski's Rule of Five
Molar Refractivity 115.93
Topological Polar Surface Area 287.33
Polarizability 46.59
Ring Count 4
Rotatable Bond Count 5

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