[(E)-octadec-9-enyl] 4-sulfanylidenebutanoate; trimethylstannanylium

Systemtic Name: [(E)-octadec-9-enyl] 4-sulfanylidenebutanoate; trimethylstannanylium Openeye Name: [(E)-octadec-9-enyl] 4-thioxobutanoate; trimethylstannanylium CAS Name: 4-sulfanylidenebutanoic acid [(E)-octadec-9-enyl] ester; trimethylstannanylium IUPAC Name: [(E)-octadec-9-enyl] 4-sulfanylidenebutanoate; trimethylstannanylium Traditional Name: 4-thioxobutyric acid [(E)-octadec-9-enyl] ester; trimethylstannanylium Formula: C25H49O2SSn+ MolecularWeight: 532.43036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CCC=S.C[Sn+](C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CCC=S.C[Sn+](C)C

InChI

InChI=1S/C22H40O2S.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22(23)19-18-21-25;;;;/h9-10,21H,2-8,11-20H2,1H3;3*1H3;/q;;;;+1/b10-9+;;;;