tris[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethyl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethyl] benzene-1,3,5-tricarboxylate Openeye Name: tris[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethyl] benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[2-[[2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]ethyl] ester IUPAC Name: tris[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethyl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[2-[[2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]ethyl] ester Formula: C39H36O6S21 MolecularWeight: 1274.06454

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC(=C2SC=C(S2)SCCOC(=O)C3=CC(=CC(=C3)C(=O)OCCSC4=CSC(=C5SC(=C(S5)SC)SC)S4)C(=O)OCCSC6=CSC(=C7SC(=C(S7)SC)SC)S6)S1)SC

Isomeric SMILES

CSC1=C(SC(=C2SC=C(S2)SCCOC(=O)C3=CC(=CC(=C3)C(=O)OCCSC4=CSC(=C5SC(=C(S5)SC)SC)S4)C(=O)OCCSC6=CSC(=C7SC(=C(S7)SC)SC)S6)S1)SC

InChI

InChI=1S/C39H36O6S21/c1-46-28-29(47-2)62-37(61-28)34-55-16-22(58-34)52-10-7-43-25(40)19-13-20(26(41)44-8-11-53-23-17-56-35(59-23)38-63-30(48-3)31(49-4)64-38)15-21(14-19)27(42)45-9-12-54-24-18-57-36(60-24)39-65-32(50-5)33(51-6)66-39/h13-18H,7-12H2,1-6H3