methyl 4-(1,3-dithian-2-yl)-3-methyl-pentanoate

Systemtic Name: methyl 4-(1,3-dithian-2-yl)-3-methyl-pentanoate Openeye Name: methyl 4-(1,3-dithian-2-yl)-3-methyl-pentanoate CAS Name: 4-(1,3-dithian-2-yl)-3-methylpentanoic acid methyl ester IUPAC Name: methyl 4-(1,3-dithian-2-yl)-3-methylpentanoate Traditional Name: 4-(1,3-dithian-2-yl)-3-methyl-valeric acid methyl ester Formula: C11H20O2S2 MolecularWeight: 248.4053

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(C)C1SCCCS1

Isomeric SMILES

CC(CC(=O)OC)C(C)C1SCCCS1

InChI

InChI=1S/C11H20O2S2/c1-8(7-10(12)13-3)9(2)11-14-5-4-6-15-11/h8-9,11H,4-7H2,1-3H3