2-[3-(3-Ethyl-2(3H)-Benzothiazolylidene)-2-Methyl-1-Propenyl]-3-[3-(Sulfooxy)-Butyl]Benzothiazolium Hydroxide, Inner Salt
[CAS# 28789-08-4]

Identification

• Name: 2-[3-(3-Ethyl-2(3H)-Benzothiazolylidene)-2-Methyl-1-Propenyl]-3-[3-(Sulfooxy)-Butyl]Benzothiazolium Hydroxide, Inner Salt
• Synonyms: 4-[2-[3-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-2-Sulfonate; 4-[2-[(E,3E)-3-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-2-Sulfonate; 4-[2-[(E,3Z)-3-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-2-Methyl-Prop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-2-Sulfonate
• Molecular Formula: C₂₄H₂₆N₂O₃S₃
• Molecular Weight: 486.66
• CAS Registry Number: 28789-08-4 (34935-38-1)
• SMILES: C1=CC=CC2=C1N(C(S2)=CC(=CC3=[N+](C4=C(S3)C=CC=C4)CC)C)CCC([S](=O)(=O)[O-])C
• InChI: 1S/C24H26N2O3S3/c1-4-25-19-9-5-7-11-21(19)30-23(25)15-17(2)16-24-26(14-13-18(3)32(27,28)29)20-10-6-8-12-22(20)31-24/h5-12,15-16,18H,4,13-14H2,1-3H3
• InChIKey: HHGWLRNRKVHQRS-UHFFFAOYSA-N