3-Ethyl-2-[(1E,3E)-3-{3-[(2E,4Z)-4-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-buten-2-yl]-5,5-dimethyl-2-cyclohexen-1-ylidene}-1-buten-1-yl]-1,3-benzothiazol-3-ium iodide
[CAS# 92570-00-8]

Identification

• Name: 3-Ethyl-2-[(1E,3E)-3-{3-[(2E,4Z)-4-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-buten-2-yl]-5,5-dimethyl-2-cyclohexen-1-ylidene}-1-buten-1-yl]-1,3-benzothiazol-3-ium iodide
• Synonyms: 3-ethyl-2-[(E)-3-(3-{(E)-3-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1-methyl-1-propenyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-butenyl]-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[3-[3-[3-(3-ethyl-2(3H)-benzothiazolylidene)-1-methyl-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-butenyl]-, iodide (9CI)
• Molecular Formula: C₃₄H₃₉IN₂S₂
• Molecular Weight: 666.72
• CAS Registry Number: 92570-00-8
• SMILES: CC[n+]1c2ccccc2sc1C=CC(=C3CC(CC(=C3)C(=CC=C4N(c5ccccc5S4)CC)C)(C)C)C.[I-]
• InChI: 1S/C34H39N2S2.HI/c1-7-35-28-13-9-11-15-30(28)37-32(35)19-17-24(3)26-21-27(23-34(5,6)22-26)25(4)18-20-33-36(8-2)29-14-10-12-16-31(29)38-33;/h9-21H,7-8,22-23H2,1-6H3;1H/q+1;/p-1
• InChIKey: NRVYPJSJNZQZEC-UHFFFAOYSA-M