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tripotassium (E)-3,3'-dioxo-1H,1'H-[2,2'-biindolylidene]-5,5',7-trisulfonate

tripotassium (E)-3,3'-dioxo-1H,1'H-[2,2'-biindolylidene]-5,5',7-trisulfonate

CAS: 67627-18-3

Formula: C16H7K3N2O11S3

SMILES: [K+].[K+].[K+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=C(C=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)C1=O

IUPAC: tripotassium (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5',7-trisulfonate

InChI: InChI=1S/C16H10N2O11S3.3K/c19-15-8-3-6(30(21,22)23)1-2-10(8)17-13(15)14-16(20)9-4-7(31(24,25)26)5-11(12(9)18-14)32(27,28)29;;;/h1-5,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b14-13-;;;

Composition: C (31.16%), H (1.14%), K (19.02%), N (4.54%), O (28.54%), S (15.60%)

Molar Mass: 616.71

Atom Count: 42

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 615.81231705
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 2
InChIKey XOSMXDUITYWYGR-VPOCKCTCSA-K
Lipinski's Rule of Five
Molar Refractivity 108.54
Topological Polar Surface Area 229.8
Polarizability 41.97
Ring Count 4
Rotatable Bond Count 3

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