DIATRETYNE I

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H5NO3
Molecular Weight	163.1302
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)C#CC#C\C=C\C(O)=O

InChI

InChIKey=OCJRAKXVNGISKJ-GQCTYLIASA-N

InChI=1S/C8H5NO3/c9-7(10)5-3-1-2-4-6-8(11)12/h4,6H,(H2,9,10)(H,11,12)/b6-4+

HIDE SMILES / InChI

Molecular Formula	C8H5NO3
Molecular Weight	163.1302
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 `Mon Mar 31 22:27:39 GMT 2025` Edited by `admin` on `Mon Mar 31 22:27:39 GMT 2025`
Record UNII	OR0D888H63
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIATRETYNE AMIDE

Preferred Name

English

DIATRETYNE I

Common Name

English

2-OCTENE-4,6-DIYNOIC ACID, 8-AMINO-8-OXO-, (E)-

Systematic Name

English

TRANS-7-CARBAMOYL-2-HEPTENE-4,6-DIYNOIC ACID

Systematic Name

English

DIATRETYNE I [MI]

Common Name

English

(E)-8-AMINO-8-OXO-2-OCTENE-4,6-DIYNOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

53318-35-7

Created by admin on Mon Mar 31 22:27:39 GMT 2025 , Edited by admin on Mon Mar 31 22:27:39 GMT 2025

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PUBCHEM

6433201

Created by admin on Mon Mar 31 22:27:39 GMT 2025 , Edited by admin on Mon Mar 31 22:27:39 GMT 2025

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MERCK INDEX

m683

Created by admin on Mon Mar 31 22:27:39 GMT 2025 , Edited by admin on Mon Mar 31 22:27:39 GMT 2025

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Merck Index

FDA UNII

OR0D888H63

Created by admin on Mon Mar 31 22:27:39 GMT 2025 , Edited by admin on Mon Mar 31 22:27:39 GMT 2025

PRIMARY