CID 82422

[2-(9-chloro-3-sulfooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] hydrogen sulfate

Also Known As: [2-(9-chloro-3-sulfooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] hydrogen sulfate|1H-Indol-3-ol, 2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogen sulfate)|2-[9-Chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl hydrogen sulfate|Indol-3-ol, 2-(9-chloro-3-hydroxynaphtho[1,2-b]thien-2-yl)-, bis(hydrogen sulfate)|1H-Indol-3-ol, 2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate (ester)

Molecular Formula	C20H12ClNO8S3
Molecular Weight	524.94135 g/mol
LogP	5.22
Topological Polar Surface Area	142.99 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	524.94135
Heavy Atoms	33
Complexity	1788.8

Chemical Identifiers

CAS Number	6536-61-4
SMILES	C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=C(S3)C5=C(C=CC=C5Cl)C=C4)OS(=O)(=O)O)OS(=O)(=O)O