methyl 9-(2-oxidanylidene-1,3-dithiol-4-yl)nonanoate

Systemtic Name: methyl 9-(2-oxidanylidene-1,3-dithiol-4-yl)nonanoate Openeye Name: methyl 9-(2-oxo-1,3-dithiol-4-yl)nonanoate CAS Name: 9-(2-oxo-1,3-dithiol-4-yl)nonanoic acid methyl ester IUPAC Name: methyl 9-(2-oxo-1,3-dithiol-4-yl)nonanoate Traditional Name: 9-(2-keto-1,3-dithiol-4-yl)pelargonic acid methyl ester Formula: C13H20O3S2 MolecularWeight: 288.4261

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCC1=CSC(=O)S1

Isomeric SMILES

COC(=O)CCCCCCCCC1=CSC(=O)S1

InChI

InChI=1S/C13H20O3S2/c1-16-12(14)9-7-5-3-2-4-6-8-11-10-17-13(15)18-11/h10H,2-9H2,1H3