tetrakis[[2-(1,3-dithian-5-yl)phenyl]methyl] benzene-1,2,4,5-tetracarboxylate

Systemtic Name: tetrakis[[2-(1,3-dithian-5-yl)phenyl]methyl] benzene-1,2,4,5-tetracarboxylate Openeye Name: tetrakis[[2-(1,3-dithian-5-yl)phenyl]methyl] benzene-1,2,4,5-tetracarboxylate CAS Name: benzene-1,2,4,5-tetracarboxylic acid tetrakis[[2-(1,3-dithian-5-yl)phenyl]methyl] ester IUPAC Name: tetrakis[[2-(1,3-dithian-5-yl)phenyl]methyl] benzene-1,2,4,5-tetracarboxylate Traditional Name: benzene-1,2,4,5-tetracarboxylic acid tetrakis[2-(1,3-dithian-5-yl)benzyl] ester Formula: C54H54O8S8 MolecularWeight: 1087.52176

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSCS1)C2=CC=CC=C2COC(=O)C3=CC(=C(C=C3C(=O)OCC4=CC=CC=C4C5CSCSC5)C(=O)OCC6=CC=CC=C6C7CSCSC7)C(=O)OCC8=CC=CC=C8C9CSCSC9

Isomeric SMILES

C1C(CSCS1)C2=CC=CC=C2COC(=O)C3=CC(=C(C=C3C(=O)OCC4=CC=CC=C4C5CSCSC5)C(=O)OCC6=CC=CC=C6C7CSCSC7)C(=O)OCC8=CC=CC=C8C9CSCSC9

InChI

InChI=1S/C54H54O8S8/c55-51(59-19-35-9-1-5-13-43(35)39-23-63-31-64-24-39)47-17-49(53(57)61-21-37-11-3-7-15-45(37)41-27-67-33-68-28-41)50(54(58)62-22-38-12-4-8-16-46(38)42-29-69-34-70-30-42)18-48(47)52(56)60-20-36-10-2-6-14-44(36)40-25-65-32-66-26-40/h1-18,39-42H,19-34H2