3-Ethyl-2-[[7-[(3-Ethyl-2(3H)-Benzothiazolylidene)Methyl]-4,4a,5,6-Tetrahydro-2(3H)-Naphthalenylidene]Methyl]-Benzothiazolium Iodide (1:1)
[CAS# 19208-25-4]

Identification

• Name: 3-Ethyl-2-[[7-[(3-Ethyl-2(3H)-Benzothiazolylidene)Methyl]-4,4a,5,6-Tetrahydro-2(3H)-Naphthalenylidene]Methyl]-Benzothiazolium Iodide (1:1)
• Synonyms: BENZOTHIAZOLIUM, 3-ETHYL-2-[[7-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]METHYL]-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1); 3-ETHYL-2-([7-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]METHYL)-1,3-BENZOTHIAZOL-3-IUM IODIDE; BENZOTHIAZOLIUM, 3-ETHYL-2-[[7-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHYLIDENE]METHYL]-, IODIDE
• Molecular Formula: C₃₀H₃₁IN₂S₂
• Molecular Weight: 610.62
• CAS Registry Number: 19208-25-4
• SMILES: CC[n+]1c(/C=C/2\CCC3C(=C2)C=C(CC3)/C=c/2\sc3c(n2CC)cccc3)sc2c1cccc2.[I-]
• InChI: 1S/C30H31N2S2.HI/c1-3-31-25-9-5-7-11-27(25)33-29(31)19-21-13-15-23-16-14-22(18-24(23)17-21)20-30-32(4-2)26-10-6-8-12-28(26)34-30;/h5-12,17-20,23H,3-4,13-16H2,1-2H3;1H/q+1;/p-1