.BETA.-ISATROPIC ACID

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H16O4
Molecular Weight	296.3172
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-ISATROPIC ACID

Structure Search

SMILES

OC(=O)[C@H]1CC[C@](C(O)=O)(C2=CC=CC=C2)C3=CC=CC=C13

InChI

InChIKey=LRUSLZFPYBAMCI-KSSFIOAISA-N

InChI=1S/C18H16O4/c19-16(20)14-10-11-18(17(21)22,12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,19,20)(H,21,22)/t14-,18-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-ISATROPIC ACID

Common Name

English

ISATROPIC ACID, CIS-(±)-

Common Name

English

ISATROPIC ACID [MI]

Common Name

English

1,4-NAPHTHALENEDICARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-PHENYL-, CIS-

Common Name

English

1,4-NAPHTHALENEDICARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-PHENYL-, (1R,4R)-REL-

Systematic Name

English

.BETA.-ISATROPIC ACID, (±)-

Common Name

English

Code System Code Type Description

FDA UNII

9Q1D4AKN42

Created by admin on Sat Dec 16 10:01:22 GMT 2023 , Edited by admin on Sat Dec 16 10:01:22 GMT 2023

PRIMARY

PUBCHEM

933421

Created by admin on Sat Dec 16 10:01:22 GMT 2023 , Edited by admin on Sat Dec 16 10:01:22 GMT 2023

PRIMARY

CAS

596-56-5

Created by admin on Sat Dec 16 10:01:22 GMT 2023 , Edited by admin on Sat Dec 16 10:01:22 GMT 2023

PRIMARY

EPA CompTox

DTXSID30701351

Created by admin on Sat Dec 16 10:01:22 GMT 2023 , Edited by admin on Sat Dec 16 10:01:22 GMT 2023

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MERCK INDEX

m778

Created by admin on Sat Dec 16 10:01:22 GMT 2023 , Edited by admin on Sat Dec 16 10:01:22 GMT 2023

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SUBSTANCE RECORD


					9Q1D4AKN42

.BETA.-ISATROPIC ACID