BENZOBICYCLON

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H19ClO4S2
Molecular Weight	446.967
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)C2=C(SC3=CC=CC=C3)[C@H]4CC[C@H](C4)C2=O

InChI

InChIKey=VIXCLRUCUMWJFF-KGLIPLIRSA-N

InChI=1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3/t13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H19ClO4S2
Molecular Weight	446.967
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:08:11 GMT 2023` Edited by `admin` on `Sat Dec 16 09:08:11 GMT 2023`
Record UNII	FL48GBR5SR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOBICYCLON

Official Name

English

BICYCLO(3.2.1)OCT-3-EN-2-ONE, 3-(2-CHLORO-4-(METHYLSULFONYL)BENZOYL)-4-(PHENYLTHIO)-, (1R,5S)-REL-

Systematic Name

English

SB-500

Code

English

REL-(1R,5S)-3-(2-CHLORO-4-(METHYLSULFONYL)BENZOYL)-4-(PHENYLTHIO)BICYCLO(3.2.1)OCT-3-EN-2-ONE

Systematic Name

English

3-(2-CHLORO-4-(METHYLSULFONYL)BENZOYL)-4-(PHENYLTHIO)BICYCLO(3.2.1)OCT-3-EN-2-ONE

Systematic Name

English

BICYCLO(3.2.1)OCT-3-EN-2-ONE, 3-(2-CHLORO-4-(METHYLSULFONYL)BENZOYL)-4-(PHENYLTHIO)-

Systematic Name

English

BENZOBICYCLON [ISO]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

215101