OCTADECYL RHODAMINE B CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H67N2O3.Cl
Molecular Weight	731.489
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OCTADECYL RHODAMINE B CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C=CC=C1)C2=C3C=CC(C=C3OC4=C2C=CC(=C4)N(CC)CC)=[N+](CC)CC

InChI

InChIKey=NFGODEMQGQNUKK-UHFFFAOYSA-M

InChI=1S/C46H67N2O3.ClH/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-34-50-46(49)40-29-26-25-28-39(40)45-41-32-30-37(47(7-2)8-3)35-43(41)51-44-36-38(31-33-42(44)45)48(9-4)10-5;/h25-26,28-33,35-36H,6-24,27,34H2,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C46H67N2O3
Molecular Weight	696.0358
Charge	1
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 `Sat Dec 16 08:39:48 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:48 GMT 2023`
Record UNII	PM25QZB78X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTADECYL RHODAMINE B CHLORIDE

Common Name

English

RHODAMINE B OCTADECYL ESTER

Common Name

English

XANTHYLIUM, 3,6-BIS(DIETHYLAMINO)-9-(2-((OCTADECYLOXY)CARBONYL)PHENYL)-, CHLORIDE (1:1)

Systematic Name

English

STEARYL RHODAMINE B CHLORIDE

Common Name

English

ETHANAMINIUM, N-(6-(DIETHYLAMINO)-9-(2-((OCTADECYLOXY)CARBONYL)PHENYL)-3H-XANTHEN-3-YLIDENE)-N-ETHYL-, CHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

65603-19-2

Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023

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EPA CompTox

DTXSID10984180

Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023

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PUBCHEM

65232

Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023

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FDA UNII

PM25QZB78X

Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023

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