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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14O7S
Molecular Weight 362.354
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(9,10-Dihydro-1-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-1-propanesulfonic acid

SMILES

OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=CC=C1OCCCS(O)(=O)=O

InChI

InChIKey=OTHKCGPMOXFLDM-UHFFFAOYSA-N
InChI=1S/C17H14O7S/c18-15-10-4-1-2-5-11(10)16(19)14-12(15)6-7-13(17(14)20)24-8-3-9-25(21,22)23/h1-2,4-7,20H,3,8-9H2,(H,21,22,23)

HIDE SMILES / InChI

Molecular Formula C17H14O7S
Molecular Weight 362.354
Charge 0
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 Fri Dec 15 17:45:50 GMT 2023
Edited
by admin
on Fri Dec 15 17:45:50 GMT 2023
Record UNII
B49VND35B2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(9,10-Dihydro-1-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-1-propanesulfonic acid
Systematic Name English
Hydroxy-2-(3-sulfopropoxy)anthraquinone, 1-
Systematic Name English
1-Propanesulfonic acid, 3-[(9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-
Systematic Name English
Code System Code Type Description
PUBCHEM
47656
Created by admin on Fri Dec 15 17:45:50 GMT 2023 , Edited by admin on Fri Dec 15 17:45:50 GMT 2023
PRIMARY
FDA UNII
B49VND35B2
Created by admin on Fri Dec 15 17:45:50 GMT 2023 , Edited by admin on Fri Dec 15 17:45:50 GMT 2023
PRIMARY
CAS
126590-66-7
Created by admin on Fri Dec 15 17:45:50 GMT 2023 , Edited by admin on Fri Dec 15 17:45:50 GMT 2023
PRIMARY