sodium (Z)-(4,4-didodecyl-3-oxidanylidene-5-sulfanylidene-thiolan-2-ylidene)methanolate

Systemtic Name: sodium (Z)-(4,4-didodecyl-3-oxidanylidene-5-sulfanylidene-thiolan-2-ylidene)methanolate Openeye Name: sodium (Z)-(4,4-didodecyl-3-oxo-5-thioxo-tetrahydrothiophen-2-ylidene)methanolate CAS Name: sodium (Z)-(4,4-didodecyl-3-oxo-5-sulfanylidene-2-thiolanylidene)methanolate IUPAC Name: sodium (Z)-(4,4-didodecyl-3-oxo-5-sulfanylidenethiolan-2-ylidene)methanolate Traditional Name: sodium (Z)-(3-keto-4,4-dilauryl-5-thioxo-tetrahydrothiophen-2-ylidene)methanolate Formula: C29H51NaO2S2 MolecularWeight: 518.83381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C(=O)C(=C[O-])SC1=S)CCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1(C(=O)/C(=C/[O-])/SC1=S)CCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C29H52O2S2.Na/c1-3-5-7-9-11-13-15-17-19-21-23-29(27(31)26(25-30)33-28(29)32)24-22-20-18-16-14-12-10-8-6-4-2;/h25,30H,3-24H2,1-2H3;/q;+1/p-1/b26-25-;