U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H16O4S2
Molecular Weight 384.469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VAT ORANGE 5

SMILES

CCOC1=CC=C2C(=O)\C(SC2=C1)=C3/SC4=CC(OCC)=CC=C4C3=O

InChI

InChIKey=VMXWZRNWXZSSCE-FMQUCBEESA-N
InChI=1S/C20H16O4S2/c1-3-23-11-5-7-13-15(9-11)25-19(17(13)21)20-18(22)14-8-6-12(24-4-2)10-16(14)26-20/h5-10H,3-4H2,1-2H3/b20-19+

HIDE SMILES / InChI

Molecular Formula C20H16O4S2
Molecular Weight 384.469
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:21:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:21:51 GMT 2023
Record UNII
102OGV839M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VAT ORANGE 5
Common Name English
C.I. VAT ORANGE 5
Common Name English
(.DELTA.2,2'(3H,3'H)-BIBENZO(B)THIOPHENE)-3,3'-DIONE, 6,6'-DIETHOXY-
Systematic Name English
C.I. 73335
Common Name English
NSC-47718
Code English
BENZO(B)THIOPHEN-3(2H)-ONE, 6-ETHOXY-2-(6-ETHOXY-3-OXOBENZO(B)THIEN-2(3H)-YLIDENE)-
Systematic Name English
6-ETHOXY-2-(6-ETHOXY-3-OXOBENZO(B)THIEN-2(3H)- YLIDENE)BENZO(B)THIOPHENE-3(2H)-ONE
Systematic Name English
THIOINDIGO, 6,6'-DIETHOXY-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
221-869-4
Created by admin on Sat Dec 16 08:21:51 GMT 2023 , Edited by admin on Sat Dec 16 08:21:51 GMT 2023
PRIMARY
FDA UNII
102OGV839M
Created by admin on Sat Dec 16 08:21:51 GMT 2023 , Edited by admin on Sat Dec 16 08:21:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID3062940
Created by admin on Sat Dec 16 08:21:51 GMT 2023 , Edited by admin on Sat Dec 16 08:21:51 GMT 2023
PRIMARY
CAS
3263-31-8
Created by admin on Sat Dec 16 08:21:51 GMT 2023 , Edited by admin on Sat Dec 16 08:21:51 GMT 2023
PRIMARY
NSC
47718
Created by admin on Sat Dec 16 08:21:51 GMT 2023 , Edited by admin on Sat Dec 16 08:21:51 GMT 2023
PRIMARY
PUBCHEM
6263734
Created by admin on Sat Dec 16 08:21:51 GMT 2023 , Edited by admin on Sat Dec 16 08:21:51 GMT 2023
PRIMARY