SIMONELLITE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H24
Molecular Weight	252.3939
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SIMONELLITE

Structure Search

SMILES

CC(C)C1=CC2=CC=C3C(CCCC3(C)C)=C2C=C1

InChI

InChIKey=XZDCNNOTTUOTGE-UHFFFAOYSA-N

InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C19H24
Molecular Weight	252.3939
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 `Wed Apr 02 11:51:51 GMT 2025` Edited by `admin` on `Wed Apr 02 11:51:51 GMT 2025`
Record UNII	C4NA2DCQ93
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SIMONELLITE

Common Name

English

1,2,3,4-TETRAHYDRO-1,1-DIMETHYL-7-(1-METHYLETHYL)PHENANTHRENE

Preferred Name

English

PHENANTHRENE, 1,2,3,4-TETRAHYDRO-1,1-DIMETHYL-7-(1-METHYLETHYL)-

Systematic Name

English

PHENANTHRENE, 1,2,3,4-TETRAHYDRO-7-ISOPROPYL-1,1-DIMETHYL-

Systematic Name

English

Code System Code Type Description

CAS

27530-79-6

Created by admin on Wed Apr 02 11:51:51 GMT 2025 , Edited by admin on Wed Apr 02 11:51:51 GMT 2025

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FDA UNII

C4NA2DCQ93

Created by admin on Wed Apr 02 11:51:51 GMT 2025 , Edited by admin on Wed Apr 02 11:51:51 GMT 2025

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WIKIPEDIA

Simonellite

Created by admin on Wed Apr 02 11:51:51 GMT 2025 , Edited by admin on Wed Apr 02 11:51:51 GMT 2025

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PUBCHEM

176455

Created by admin on Wed Apr 02 11:51:51 GMT 2025 , Edited by admin on Wed Apr 02 11:51:51 GMT 2025

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EPA CompTox

DTXSID00181949

Created by admin on Wed Apr 02 11:51:51 GMT 2025 , Edited by admin on Wed Apr 02 11:51:51 GMT 2025

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