JPC-80 ANHYDROUS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H20N2O2S2.H2O4S
Molecular Weight	458.572
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CC1=NC=C(C=C)C(CSSCC2=C(O)C(C)=NC=C2C=C)=C1O

InChI

InChIKey=GXVMXLOBFFMROS-UHFFFAOYSA-N

InChI=1S/C18H20N2O2S2.H2O4S/c1-5-13-7-19-11(3)17(21)15(13)9-23-24-10-16-14(6-2)8-20-12(4)18(16)22;1-5(2,3)4/h5-8,21-22H,1-2,9-10H2,3-4H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C18H20N2O2S2
Molecular Weight	360.494
Charge	0
Count

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

Molecular Formula	H2O4S
Molecular Weight	98.078
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 `Sat Dec 16 13:45:10 GMT 2023` Edited by `admin` on `Sat Dec 16 13:45:10 GMT 2023`
Record UNII	TF4FU9SG24
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JPC-80 ANHYDROUS

Code

English

3-PYRIDINOL, 4,4'-(DITHIOBIS(METHYLENE))BIS(5-ETHENYL-2-METHYL-, SULFATE (1:1) (SALT)

Systematic Name

English

4,4-DITHIODIMETHYLENE-BIS(5-ETHENYL-2-METHYL-3-PYRIDINOL)SULFATE

Systematic Name

English

4,4-DITHIODIMETHYLENE-BIS(5-ETHENYL-2-METHYL-3-PYRIDINOL)SULPHATE

Systematic Name

English

Code System Code Type Description

CAS

69054-00-8

Created by admin on Sat Dec 16 13:45:10 GMT 2023 , Edited by admin on Sat Dec 16 13:45:10 GMT 2023

PRIMARY

PUBCHEM

88825059

Created by admin on Sat Dec 16 13:45:10 GMT 2023 , Edited by admin on Sat Dec 16 13:45:10 GMT 2023

PRIMARY

FDA UNII

TF4FU9SG24

Created by admin on Sat Dec 16 13:45:10 GMT 2023 , Edited by admin on Sat Dec 16 13:45:10 GMT 2023

PRIMARY

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