Disodium 2-[9-chloro-3-(sulfonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulfate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H10ClNO8S3.2Na
Molecular Weight	569.923
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Disodium 2-[9-chloro-3-(sulfonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulfate

Structure Search

SMILES

[Na+].[Na+].[O-]S(=O)(=O)OC1=C(NC2=C1C=CC=C2)C3=C(OS([O-])(=O)=O)C4=C(S3)C5=C(C=CC=C5Cl)C=C4

InChI

InChIKey=VQNHJDZRCIAIHS-UHFFFAOYSA-L

InChI=1S/C20H12ClNO8S3.2Na/c21-13-6-3-4-10-8-9-12-18(30-33(26,27)28)20(31-19(12)15(10)13)16-17(29-32(23,24)25)11-5-1-2-7-14(11)22-16;;/h1-9,22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	C20H10ClNO8S3
Molecular Weight	523.943
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:48:40 GMT 2025` Edited by `admin` on `Tue Apr 01 18:48:40 GMT 2025`
Record UNII	ESE294W8HK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-Indol-3-ol, 2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate (ester), disodium salt

Preferred Name

English

Disodium 2-[9-chloro-3-(sulfonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulfate

Systematic Name

English

1H-Indol-3-ol, 2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogen sulfate), disodium salt

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID3064982