3-Ethyl-2-[(E)-{7-[(Z)-(3-Ethyl-6-Methyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-4,4A,5,6-Tetrahydro-2(3H)-Naphthalenylidene}Methyl]-6-Methyl-1,3-Benzothiazol-3-Ium Iodide
[CAS# 20749-81-9]

Identification

• Name: 3-Ethyl-2-[(E)-{7-[(Z)-(3-Ethyl-6-Methyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-4,4A,5,6-Tetrahydro-2(3H)-Naphthalenylidene}Methyl]-6-Methyl-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 3-ethyl-2-{[7-{[3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl}-6-methyl-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[[7-[(3-ethyl-6-methyl-2-benzothiazolinylidene)methyl]-4,4a,5,6-tetrahydro-2(3H)-naphthylidene]methyl]-6-methyl-, iodide (8CI)
• Molecular Formula: C₃₂H₃₅IN₂S₂
• Molecular Weight: 638.67
• CAS Registry Number: 20749-81-9
• SMILES: CC[n+]1c2ccc(cc2sc1C=C3CCC4CCC(=CC4=C3)C=C5N(c6ccc(cc6S5)C)CC)C.[I-]
• InChI: 1S/C32H35N2S2.HI/c1-5-33-27-13-7-21(3)15-29(27)35-31(33)19-23-9-11-25-12-10-24(18-26(25)17-23)20-32-34(6-2)28-14-8-22(4)16-30(28)36-32;/h7-8,13-20,25H,5-6,9-12H2,1-4H3;1H/q+1;/p-1
• InChIKey: GLYUZBBVFPQZAN-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)