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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 of Merocyanine I

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
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
7V7WD5EDT7
Record Status Validated (UNII)
Record Version