ethyl 4-[bis(8-ethoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiole-8-carboxylate

Systemtic Name: ethyl 4-[bis(8-ethoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiole-8-carboxylate Openeye Name: ethyl 4-[bis(8-ethoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiole-8-carboxylate CAS Name: 4-[bis(8-ethoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiole-8-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[bis(8-ethoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiole-8-carboxylate Traditional Name: 4-[bis(8-carbethoxy-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiole-8-carboxylic acid ethyl ester Formula: C46H52O6S12 MolecularWeight: 1085.68148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(C3=C1SC(S3)(C)C)C(C4=C5C(=C(C6=C4SC(S6)(C)C)C(=O)OCC)SC(S5)(C)C)C7=C8C(=C(C9=C7SC(S9)(C)C)C(=O)OCC)SC(S8)(C)C)SC(S2)(C)C

Isomeric SMILES

CCOC(=O)C1=C2C(=C(C3=C1SC(S3)(C)C)C(C4=C5C(=C(C6=C4SC(S6)(C)C)C(=O)OCC)SC(S5)(C)C)C7=C8C(=C(C9=C7SC(S9)(C)C)C(=O)OCC)SC(S8)(C)C)SC(S2)(C)C

InChI

InChI=1S/C46H52O6S12/c1-16-50-38(47)23-32-26(53-41(4,5)59-32)20(27-33(23)60-42(6,7)54-27)19(21-28-34(61-43(8,9)55-28)24(39(48)51-17-2)35-29(21)56-44(10,11)62-35)22-30-36(63-45(12,13)57-30)25(40(49)52-18-3)37-31(22)58-46(14,15)64-37/h19H,16-18H2,1-15H3