FLOCOUMAFEN, CIS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C33H25F3O4
Molecular Weight	542.5444
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CC2=C(C=CC=C2)[C@@]([H])(C1)C3=C(O)C4=C(OC3=O)C=CC=C4)C5=CC=C(OCC6=CC=C(C=C6)C(F)(F)F)C=C5

InChI

InChIKey=KKBGNYHHEIAGOH-QDPGVEIFSA-N

InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2/t23-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H25F3O4
Molecular Weight	542.5444
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 05:30:55 UTC 2023` Edited by `admin` on `Sat Dec 16 05:30:55 UTC 2023`
Record UNII	957E1M6P6N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLOCOUMAFEN, CIS-

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1,2,3,4-TETRAHYDRO-3-(4-((4-(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)-1-NAPHTHALENYL)-, CIS-

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1R,3S)-1,2,3,4-TETRAHYDRO-3-(4-((4-(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)-1-NAPHTHALENYL)-, REL-

Common Name

English

(±)-FLOCOUMAFEN, CIS-

Common Name

English

Code System Code Type Description

CAS

104563-61-3

Created by admin on Sat Dec 16 05:30:55 UTC 2023 , Edited by admin on Sat Dec 16 05:30:55 UTC 2023

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FDA UNII

957E1M6P6N

Created by admin on Sat Dec 16 05:30:55 UTC 2023 , Edited by admin on Sat Dec 16 05:30:55 UTC 2023

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PUBCHEM

76960465

Created by admin on Sat Dec 16 05:30:55 UTC 2023 , Edited by admin on Sat Dec 16 05:30:55 UTC 2023

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