(2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methyl-cyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole

Systemtic Name: (2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methyl-cyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole Openeye Name: (2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-2-methyl-cyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole CAS Name: (2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methyl-1-cyclohex-2-enylidene]ethylidene]-1,3-benzothiazole IUPAC Name: (2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole Traditional Name: (2E)-3-butyl-2-[(2E)-2-[3-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-2-methyl-cyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole Formula: C33H39N2S2+ MolecularWeight: 527.80616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC1=CC=C3CCCC(=C3C)C=CC4=[N+](C5=CC=CC=C5S4)CCCC

Isomeric SMILES

CCCCN\1C2=CC=CC=C2S/C1=C/C=C/3\CCCC(=C3C)/C=C/C4=[N+](C5=CC=CC=C5S4)CCCC

InChI

InChI=1S/C33H39N2S2/c1-4-6-23-34-28-15-8-10-17-30(28)36-32(34)21-19-26-13-12-14-27(25(26)3)20-22-33-35(24-7-5-2)29-16-9-11-18-31(29)37-33/h8-11,15-22H,4-7,12-14,23-24H2,1-3H3/q+1