Merocyanine I

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H32N3O7S.Na
Molecular Weight	553.603
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCCN1C(=O)N(CCCC)C(=O)C(=C\C=C\C=C2/OC3=C(C=CC=C3)N2CCCS([O-])(=O)=O)C1=O

InChI

InChIKey=DZVCFNFOPIZQKX-LTHRDKTGSA-M

InChI=1S/C26H33N3O7S.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)32)17-6-4-2)12-7-10-15-23-27(18-11-19-37(33,34)35)21-13-8-9-14-22(21)36-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,33,34,35);/q;+1/p-1/b10-7+,23-15-;

HIDE SMILES / InChI

Molecular Formula	C26H32N3O7S
Molecular Weight	530.613
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
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 `Fri Dec 15 18:08:35 GMT 2023` Edited by `admin` on `Fri Dec 15 18:08:35 GMT 2023`
Record UNII	7V7WD5EDT7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Merocyanine I

Common Name

English

3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-, sodium salt (1:1)

Common Name

English

MEROCYANINE DYE

Common Name

English

Code System Code Type Description

WIKIPEDIA

Merocyanine