BI-L-357

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H18O4S
Molecular Weight	330.398
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(\C=C\C2=CC=CS2)=CC(C)=C1OC(=O)CCC(O)=O

InChI

InChIKey=OIDYLVFJAIPWBI-AATRIKPKSA-N

InChI=1S/C18H18O4S/c1-12-10-14(5-6-15-4-3-9-23-15)11-13(2)18(12)22-17(21)8-7-16(19)20/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/b6-5+

HIDE SMILES / InChI

Molecular Formula	C18H18O4S
Molecular Weight	330.398
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:59:01 GMT 2023` Edited by `admin` on `Fri Dec 15 17:59:01 GMT 2023`
Record UNII	ZHK8B6NU6C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BI-L-357

Common Name

English

1-[2,6-Dimethyl-4-[(1E)-2-(2-thienyl)ethenyl]phenyl] hydrogen butanedioate

Systematic Name

English

1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate

Systematic Name

English

Butanedioic acid, 1-[2,6-dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] ester

Systematic Name

English

Butanedioic acid, 1-[2,6-dimethyl-4-[(1E)-2-(2-thienyl)ethenyl]phenyl] ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

6440014

Created by admin on Fri Dec 15 17:59:01 GMT 2023 , Edited by admin on Fri Dec 15 17:59:01 GMT 2023

PRIMARY

CAS

149539-02-6

Created by admin on Fri Dec 15 17:59:01 GMT 2023 , Edited by admin on Fri Dec 15 17:59:01 GMT 2023

PRIMARY

FDA UNII

ZHK8B6NU6C

Created by admin on Fri Dec 15 17:59:01 GMT 2023 , Edited by admin on Fri Dec 15 17:59:01 GMT 2023

PRIMARY

CAS

125722-33-0

Created by admin on Fri Dec 15 17:59:01 GMT 2023 , Edited by admin on Fri Dec 15 17:59:01 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY