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1-(3-Sulfopropyl)-2-[[3-(3-Sulfopropyl)-2(3H)-Benzothiazolylidene]Methyl] Naphtho[1,2-d]Thiazolium Hydroxide, Inner Salt, Triethylammonium Salt
[CAS# 60760-42-1]

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Identification
Name 1-(3-Sulfopropyl)-2-[[3-(3-Sulfopropyl)-2(3H)-Benzothiazolylidene]Methyl] Naphtho[1,2-d]Thiazolium Hydroxide, Inner Salt, Triethylammonium Salt
Synonyms N,N-Diethylethanamine; 3-[2-[(Z)-[3-(3-Sulfopropyl)-1,3-Benzothiazol-2-Ylidene]Methyl]Benzo[E][1,3]Benzothiazol-1-Ium-1-Yl]Propane-1-Sulfonate; N,N-Diethylethanamine; 3-[2-[[3-(3-Sulfopropyl)-1,3-Benzothiazol-2-Ylidene]Methyl]-1-Benzo[E][1,3]Benzothiazol-1-Iumyl]Propane-1-Sulfonate; N,N-Diethylethanamine; 3-[2-[(Z)-[3-(3-Sulfopropyl)-1,3-Benzothiazol-2-Ylidene]Methyl]-1-Benzo[E][1,3]Benzothiazol-1-Iumyl]Propane-1-Sulfonate
Molecular Structure CAS#: 60760-42-1, 1-(3-Sulfopropyl)-2-[[3-(3-Sulfopropyl)-2(3H)-Benzothiazolylidene]Methyl] Naphtho[1,2-d]Thiazolium Hydroxide, Inner Salt, Triethylammonium Salt
Molecular Formula C31H39N3O6S4
Molecular Weight 677.91
CAS Registry Number 60760-42-1
EINECS 262-407-1
SMILES C1=CC5=C(C2=C1SC(=[N+]2CCC[S](=O)(=O)[O-])C=C3N(C4=C(S3)C=CC=C4)CCC[S](O)(=O)=O)C=CC=C5.C(N(CC)CC)C
InChI 1S/C25H24N2O6S4.C6H15N/c28-36(29,30)15-5-13-26-20-9-3-4-10-21(20)34-23(26)17-24-27(14-6-16-37(31,32)33)25-19-8-2-1-7-18(19)11-12-22(25)35-24;1-4-7(5-2)6-3/h1-4,7-12,17H,5-6,13-16H2,(H-,28,29,30,31,32,33);4-6H2,1-3H3
InChIKey RTHHIXINZMFGEU-UHFFFAOYSA-N
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