2-methylpropyl 4-(1,3-dithian-2-yl)butanoate

Systemtic Name: 2-methylpropyl 4-(1,3-dithian-2-yl)butanoate Openeye Name: isobutyl 4-(1,3-dithian-2-yl)butanoate CAS Name: 4-(1,3-dithian-2-yl)butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(1,3-dithian-2-yl)butanoate Traditional Name: 4-(1,3-dithian-2-yl)butyric acid isobutyl ester Formula: C12H22O2S2 MolecularWeight: 262.43188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCCC1SCCCS1

Isomeric SMILES

CC(C)COC(=O)CCCC1SCCCS1

InChI

InChI=1S/C12H22O2S2/c1-10(2)9-14-11(13)5-3-6-12-15-7-4-8-16-12/h10,12H,3-9H2,1-2H3