(2Z)-2-[(E)-3-(3,6-diethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3,6-diethyl-1,3-benzothiazole; ethyl sulfate

Systemtic Name: (2Z)-2-[(E)-3-(3,6-diethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3,6-diethyl-1,3-benzothiazole; ethyl sulfate Openeye Name: (2Z)-2-[(E)-3-(3,6-diethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3,6-diethyl-1,3-benzothiazole; ethyl sulfate CAS Name: (2Z)-2-[(E)-3-(3,6-diethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3,6-diethyl-1,3-benzothiazole; ethyl sulfate IUPAC Name: (2Z)-2-[(E)-3-(3,6-diethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3,6-diethyl-1,3-benzothiazole; ethyl sulfate Traditional Name: (2Z)-2-[(E)-3-(3,6-diethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3,6-diethyl-1,3-benzothiazole; ethyl sulfate Formula: C27H34N2O4S3 MolecularWeight: 546.76486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=CC=CC3=[N+](C4=C(S3)C=C(C=C4)CC)CC)S2)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N(/C(=C/C=C/C3=[N+](C4=C(S3)C=C(C=C4)CC)CC)/S2)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C25H29N2S2.C2H6O4S/c1-5-18-12-14-20-22(16-18)28-24(26(20)7-3)10-9-11-25-27(8-4)21-15-13-19(6-2)17-23(21)29-25;1-2-6-7(3,4)5/h9-17H,5-8H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1