(E)-2-[4,5-bis(methoxycarbonyl)-2-tributylphosphaniumyl-1,3-dithiol-2-yl]-4-oxidanylidene-1,4-dithiophen-2-yl-but-1-en-1-olate

Systemtic Name: (E)-2-[4,5-bis(methoxycarbonyl)-2-tributylphosphaniumyl-1,3-dithiol-2-yl]-4-oxidanylidene-1,4-dithiophen-2-yl-but-1-en-1-olate Openeye Name: (E)-2-[4,5-bis(methoxycarbonyl)-2-tributylphosphaniumyl-1,3-dithiol-2-yl]-4-oxo-1,4-bis(2-thienyl)but-1-en-1-olate CAS Name: (E)-2-[4,5-bis(methoxycarbonyl)-2-tributylphosphiniumyl-1,3-dithiol-2-yl]-4-oxo-1,4-dithiophen-2-yl-1-buten-1-olate IUPAC Name: (E)-2-[4,5-bis(methoxycarbonyl)-2-tributylphosphaniumyl-1,3-dithiol-2-yl]-4-oxo-1,4-dithiophen-2-ylbut-1-en-1-olate Traditional Name: (E)-2-(4,5-dicarbomethoxy-2-tributylphosphiniumyl-1,3-dithiol-2-yl)-4-keto-1,4-bis(2-thienyl)but-1-en-1-olate Formula: C31H41O6PS4 MolecularWeight: 668.887401

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)C1(SC(=C(S1)C(=O)OC)C(=O)OC)C(=C(C2=CC=CS2)[O-])CC(=O)C3=CC=CS3

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)C1(SC(=C(S1)C(=O)OC)C(=O)OC)/C(=C(\C2=CC=CS2)/[O-])/CC(=O)C3=CC=CS3

InChI

InChI=1S/C31H41O6PS4/c1-6-9-16-38(17-10-7-2,18-11-8-3)31(41-27(29(34)36-4)28(42-31)30(35)37-5)22(26(33)25-15-13-20-40-25)21-23(32)24-14-12-19-39-24/h12-15,19-20H,6-11,16-18,21H2,1-5H3/b26-22+