(2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-[(3Z)-3-[(3-ethyl-2H-1,3-benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethyl-cyclohexen-1-yl]prop-2-enylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole perchlorate

Systemtic Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-[(3Z)-3-[(3-ethyl-2H-1,3-benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethyl-cyclohexen-1-yl]prop-2-enylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole perchlorate Openeye Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-[(3Z)-3-[(3-ethyl-2H-1,3-benzothiazol-1-ium-2-yl)methylene]-5,5-dimethyl-cyclohexen-1-yl]prop-2-enylidene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole perchlorate CAS Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-[(3Z)-3-[(3-ethyl-2H-1,3-benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethyl-1-cyclohexenyl]prop-2-enylidene]-5,5-dimethyl-1-cyclohexenyl]methylidene]-1,3-benzothiazole perchlorate IUPAC Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-[(3Z)-3-[(3-ethyl-2H-1,3-benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole perchlorate Traditional Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-[(3Z)-3-[(3-ethyl-2H-1,3-benzothiazol-1-ium-2-yl)methylene]-5,5-dimethyl-cyclohexen-1-yl]prop-2-enylidene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole perchlorate Formula: C39H47ClN2O4S2 MolecularWeight: 707.38448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C([SH+]C2=CC=CC=C21)C=C3CC(CC(=C3)C=CC=C4CC(CC(=C4)C=C5N(C6=CC=CC=C6S5)CC)(C)C)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN1C([SH+]C2=CC=CC=C21)/C=C\3/CC(CC(=C3)/C=C/C=C\4/CC(CC(=C4)/C=C\5/N(C6=CC=CC=C6S5)CC)(C)C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H46N2S2.ClHO4/c1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;2-1(3,4)5/h9-23,36H,7-8,24-27H2,1-6H3;(H,2,3,4,5)/b14-13+,29-15+,30-22+,37-23-;