3-(2-{2-[(3-Ethyl-5-Methyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-1-Buten-1-Yl}Naphtho[1,2-d][1,3]Thiazol-1-Ium-1-Yl)-1-Propanesulfonate
[CAS# 28784-39-6]

Identification

• Name: 3-(2-{2-[(3-Ethyl-5-Methyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-1-Buten-1-Yl}Naphtho[1,2-d][1,3]Thiazol-1-Ium-1-Yl)-1-Propanesulfonate
• Synonyms: 2-{2-[(3-Ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl}-1-(3-sulfopropyl)naphtho[1,2-d]thiazolium hydroxide inner salt; 3-{2-[(1Z)-2-ethyl-3-(3-ethyl-5-methyl(3-hydrobenzothiazol-2-ylidene))prop-1-enyl]benzo[e]benzothiazolyl}propanesulfonic acid; 386170_ALDRICH
• Molecular Formula: C₂₉H₃₀N₂O₃S₃
• Molecular Weight: 550.76
• CAS Registry Number: 28784-39-6
• SMILES: [O-]S(=O)(=O)CCC[n+]1c4c5c(ccc4sc1C=C(C=C3Sc2ccc(cc2N3CC)C)CC)cccc5
• InChI: 1S/C29H30N2O3S3/c1-4-21(18-27-30(5-2)24-17-20(3)11-13-25(24)35-27)19-28-31(15-8-16-37(32,33)34)29-23-10-7-6-9-22(23)12-14-26(29)36-28/h6-7,9-14,17-19H,4-5,8,15-16H2,1-3H3
• InChIKey: BCJMYXULAHGVFY-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)