ACENOCOUMAROL, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H15NO6
Molecular Weight	353.3255
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)C[C@H](C1=CC=C(C=C1)[N+]([O-])=O)C2=C(O)C3=CC=CC=C3OC2=O

InChI

InChIKey=VABCILAOYCMVPS-OAHLLOKOSA-N

InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H15NO6
Molecular Weight	353.3255
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:08:15 UTC 2023` Edited by `admin` on `Sat Dec 16 09:08:15 UTC 2023`
Record UNII	JRD7912W79
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACENOCOUMAROL, (R)-

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1R)-1-(4-NITROPHENYL)-3-OXOBUTYL)-

Systematic Name

English

(R)-(+)-ACENOCOUMAROL

Common Name

English

(+)-ACENOCOUMARIN

Common Name

English

(+)-ACENOCOUMAROL

Common Name

English

(+)-3-(.ALPHA.-ACETONYL-4-NITROBENZYL)-4-HYDROXYCOUMARIN

Systematic Name

English

Code System Code Type Description

PUBCHEM

54699177

Created by admin on Sat Dec 16 09:08:15 UTC 2023 , Edited by admin on Sat Dec 16 09:08:15 UTC 2023

PRIMARY

FDA UNII

JRD7912W79

Created by admin on Sat Dec 16 09:08:15 UTC 2023 , Edited by admin on Sat Dec 16 09:08:15 UTC 2023

PRIMARY

EPA CompTox

DTXSID10873368

Created by admin on Sat Dec 16 09:08:15 UTC 2023 , Edited by admin on Sat Dec 16 09:08:15 UTC 2023

PRIMARY

CAS

66556-77-2

Created by admin on Sat Dec 16 09:08:15 UTC 2023 , Edited by admin on Sat Dec 16 09:08:15 UTC 2023

PRIMARY

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ACENOCOUMAROL

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