4-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate

Systemtic Name: 4-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate Openeye Name: 4-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate CAS Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylic acid 4-[4-(1-ethyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]butyl ester IUPAC Name: 4-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate Traditional Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylic acid 4-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl ester Formula: C23H24N2O2S4+2 MolecularWeight: 488.70886

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCOC(=O)C3=CSC(=C4SC=CS4)S3

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCOC(=O)C3=CSC(=C4SC=CS4)S3

InChI

InChI=1S/C23H24N2O2S4/c1-2-24-10-5-18(6-11-24)19-7-12-25(13-8-19)9-3-4-14-27-21(26)20-17-30-23(31-20)22-28-15-16-29-22/h5-8,10-13,15-17H,2-4,9,14H2,1H3/q+2