SODIUM 5-METHYL-2-[(1E)-2-METHYL-3-[(2Z)-5-METHYL-3-(3-SULFONATOPROPYL)-2,3-DIHYDRO-1,3-BENZOTHIAZOL-2-YLIDENE]PROP-1-EN-1-YL]-3-(3-SULFONATOPROPYL)-1,3-BENZOTHIAZOL-3-IUM | CAS 94158-27-7

Catalog Id:
MM94158277

IUPAC:
SODIUM3-[5-METHYL-2-[(E,3Z)-2-METHYL-3-[5-METHYL-3-(3-SULFONATOPROPYL)-1,3-BENZOTHIAZOL-2-YLIDENE]PROP-1-ENYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL]PROPANE-1-SULFONATE

CAS Number:
94158-27-7

Molecular Weight:
616.76

Formula:
C26H29N2NaO6S4

SMILES:
[Na+].C\C(=C/C1=[N+](CCCS([O-])(=O)=O)C2=CC(C)=CC=C2S1)\C=C1/SC2=CC=C(C)C=C2N1CCCS([O-])(=O)=O

Preferred IUPAC Name:
SODIUM 5-METHYL-2-[(1E)-2-METHYL-3-[(2Z)-5-METHYL-3-(3-SULFONATOPROPYL)-2,3-DIHYDRO-1,3-BENZOTHIAZOL-2-YLIDENE]PROP-1-EN-1-YL]-3-(3-SULFONATOPROPYL)-1,3-BENZOTHIAZOL-3-IUM

InChIKey:
InChIKey=SZKQZEXXLZMHSU-UHFFFAOYSA-M

Categories:
Aliphatic Cyclic Structures, Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Aromatic Cyclic Structures