Chamazulenecarboxylic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H16O2
Molecular Weight	228.2863
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](C(O)=O)C1=CC2=C(C)C=CC2=C(C)C=C1

InChI

InChIKey=VEHBLYQIKWPOQM-NSHDSACASA-N

InChI=1S/C15H16O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h4-8,11H,1-3H3,(H,16,17)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H16O2
Molecular Weight	228.2863
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 09:59:05 GMT 2023` Edited by `admin` on `Sat Dec 16 09:59:05 GMT 2023`
Record UNII	CP7638L7UB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Chamazulenecarboxylic acid

Common Name

English

(αS)-α,3,8-Trimethyl-5-azuleneacetic acid

Systematic Name

English

2-(3,8-Dimethylazulen-5-yl)propanoic acid, (2S)-

Systematic Name

English

5-Azuleneacetic acid, α,3,8-trimethyl-, (αS)-

Systematic Name

English

(2S)-2-(3,8-Dimethylazulen-5-yl)propanoic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

CP7638L7UB

Created by admin on Sat Dec 16 09:59:05 GMT 2023 , Edited by admin on Sat Dec 16 09:59:05 GMT 2023

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CAS

489-87-2

Created by admin on Sat Dec 16 09:59:05 GMT 2023 , Edited by admin on Sat Dec 16 09:59:05 GMT 2023

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PUBCHEM

3083593

Created by admin on Sat Dec 16 09:59:05 GMT 2023 , Edited by admin on Sat Dec 16 09:59:05 GMT 2023

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EPA CompTox

DTXSID60964139

Created by admin on Sat Dec 16 09:59:05 GMT 2023 , Edited by admin on Sat Dec 16 09:59:05 GMT 2023

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