MEROCYANINE 540

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H32N3O6S2.Na
Molecular Weight	569.669
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OSQUFVVXNRMSHL-LTHRDKTGSA-M

InChI=1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7+,23-15-;

HIDE SMILES / InChI

Molecular Formula	C26H32N3O6S2
Molecular Weight	546.679
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Mon Mar 31 17:47:31 GMT 2025` Edited by `admin` on `Mon Mar 31 17:47:31 GMT 2025`
Record UNII	BS0KSN6L1U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MEROCYANINE 540

Common Name

English

3(2H)-BENZOXAZOLEPROPANESULFONIC ACID, 2-(4-(1,3-DIBUTYLTETRAHYDRO-4,6-DIOXO-2-THIOXO-5(2H)-PYRIMIDINYLIDENE)-2-BUTENYLIDENE)-, SODIUM SALT

Preferred Name

English

3(2H)-BENZOXAZOLEPROPANESULFONIC ACID, 2-(4-(1,3-DIBUTYLTETRAHYDRO-4,6-DIOXO-2-THIOXO-5(2H)-PYRIMIDINYLIDENE)-2-BUTEN-1-YLIDENE)-, SODIUM SALT (1:1)

Common Name

English

MC-540

Common Name

English

MEROCYANINE-540

Common Name

English

NK-2272

Code

English

NSC-369286

Code

English

MEROCYANINE 540 [MI]

Common Name

English

Code System Code Type Description

NSC

369286