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

Systemtic Name: methyl 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4-carboxylate Openeye Name: methyl 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4-carboxylate CAS Name: 2-[4,5-bis(hexylthio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4-carboxylate Traditional Name: 2-[4,5-bis(hexylthio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4-carboxylic acid methyl ester Formula: C20H30O2S6 MolecularWeight: 494.841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O2S6/c1-4-6-8-10-12-23-17-18(24-13-11-9-7-5-2)28-20(27-17)19-25-14-15(26-19)16(21)22-3/h14H,4-13H2,1-3H3