dimethyl 2-[[5-[(E)-2-[5-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]-3,4-dihexoxy-thiophen-2-yl]ethenyl]-3,4-dihexoxy-thiophen-2-yl]methylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[[5-[(E)-2-[5-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]-3,4-dihexoxy-thiophen-2-yl]ethenyl]-3,4-dihexoxy-thiophen-2-yl]methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[[5-[(E)-2-[5-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]-3,4-dihexoxy-2-thienyl]vinyl]-3,4-dihexoxy-2-thienyl]methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[[5-[(E)-2-[5-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]-3,4-dihexoxy-2-thiophenyl]ethenyl]-3,4-dihexoxy-2-thiophenyl]methylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[5-[(E)-2-[5-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]-3,4-dihexoxythiophen-2-yl]ethenyl]-3,4-dihexoxythiophen-2-yl]methylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[[5-[(E)-2-[5-[(4,5-dicarbomethoxy-1,3-dithiol-2-ylidene)methyl]-3,4-dihexoxy-2-thienyl]vinyl]-3,4-dihexoxy-2-thienyl]methylene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C50H68O12S6 MolecularWeight: 1053.45772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(SC(=C1OCCCCCC)C=C2SC(=C(S2)C(=O)OC)C(=O)OC)C=CC3=C(C(=C(S3)C=C4SC(=C(S4)C(=O)OC)C(=O)OC)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(SC(=C1OCCCCCC)C=C2SC(=C(S2)C(=O)OC)C(=O)OC)/C=C/C3=C(C(=C(S3)C=C4SC(=C(S4)C(=O)OC)C(=O)OC)OCCCCCC)OCCCCCC

InChI

InChI=1S/C50H68O12S6/c1-9-13-17-21-27-59-39-33(63-35(41(39)61-29-23-19-15-11-3)31-37-65-43(47(51)55-5)44(66-37)48(52)56-6)25-26-34-40(60-28-22-18-14-10-2)42(62-30-24-20-16-12-4)36(64-34)32-38-67-45(49(53)57-7)46(68-38)50(54)58-8/h25-26,31-32H,9-24,27-30H2,1-8H3/b26-25+