dimethyl 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[4,5-bis(hexylthio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[4,5-bis(hexylthio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C22H32O4S6 MolecularWeight: 552.87708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(SC(=C2SC(=C(S2)C(=O)OC)C(=O)OC)S1)SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(SC(=C2SC(=C(S2)C(=O)OC)C(=O)OC)S1)SCCCCCC

InChI

InChI=1S/C22H32O4S6/c1-5-7-9-11-13-27-19-20(28-14-12-10-8-6-2)32-22(31-19)21-29-15(17(23)25-3)16(30-21)18(24)26-4/h5-14H2,1-4H3