3-(2-METHOXYETHYL)-2-METHYL-5-PHENYLBENZOXAZOLIUM P-TOLUENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H18NO2.C7H7O3S
Molecular Weight	439.524
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2-METHOXYETHYL)-2-METHYL-5-PHENYLBENZOXAZOLIUM P-TOLUENESULFONATE

Structure Search

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.COCC[N+]2=C(C)OC3=C2C=C(C=C3)C4=CC=CC=C4

InChI

InChIKey=HMHRSYYUNKHLLK-UHFFFAOYSA-M

InChI=1S/C17H18NO2.C7H8O3S/c1-13-18(10-11-19-2)16-12-15(8-9-17(16)20-13)14-6-4-3-5-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,12H,10-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C17H18NO2
Molecular Weight	268.3303
Charge	1
Count

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

Molecular Formula	C7H7O3S
Molecular Weight	171.194
Charge	-1
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 12:42:10 GMT 2023` Edited by `admin` on `Sat Dec 16 12:42:10 GMT 2023`
Record UNII	752J509JGA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(2-METHOXYETHYL)-2-METHYL-5-PHENYLBENZOXAZOLIUM P-TOLUENESULFONATE

Systematic Name

English

BENZOXAZOLIUM, 3-(2-METHOXYETHYL)-2-METHYL-5-PHENYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)

Common Name

English

Code System Code Type Description

CAS

63123-41-1