(2E)-3-dodecyl-2-[(E)-3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole

Systemtic Name: (2E)-3-dodecyl-2-[(E)-3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole Openeye Name: (2E)-3-dodecyl-2-[(E)-3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole CAS Name: (2E)-3-dodecyl-2-[(E)-3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole IUPAC Name: (2E)-3-dodecyl-2-[(E)-3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole Traditional Name: (2E)-3-lauryl-2-[(E)-3-(3-lauryl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole Formula: C42H63N2S2+ MolecularWeight: 660.09302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCN\1C2=CC=CC=C2S/C1=C/C(=C/C3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCC)/C

InChI

InChI=1S/C42H63N2S2/c1-4-6-8-10-12-14-16-18-20-26-32-43-37-28-22-24-30-39(37)45-41(43)34-36(3)35-42-44(38-29-23-25-31-40(38)46-42)33-27-21-19-17-15-13-11-9-7-5-2/h22-25,28-31,34-35H,4-21,26-27,32-33H2,1-3H3/q+1