heptyl 4-methyl-1,2-dithiolane-4-carboxylate

Systemtic Name: heptyl 4-methyl-1,2-dithiolane-4-carboxylate Openeye Name: heptyl 4-methyldithiolane-4-carboxylate CAS Name: 4-methyl-4-dithiolanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-methyldithiolane-4-carboxylate Traditional Name: 4-methyldithiolane-4-carboxylic acid heptyl ester Formula: C12H22O2S2 MolecularWeight: 262.43188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1(CSSC1)C

Isomeric SMILES

CCCCCCCOC(=O)C1(CSSC1)C

InChI

InChI=1S/C12H22O2S2/c1-3-4-5-6-7-8-14-11(13)12(2)9-15-16-10-12/h3-10H2,1-2H3