4-methylpentyl 2-hexylsulfanyl-2-oxidanyl-ethanoate

Systemtic Name: 4-methylpentyl 2-hexylsulfanyl-2-oxidanyl-ethanoate Openeye Name: isohexyl 2-hexylsulfanyl-2-hydroxy-acetate CAS Name: 2-(hexylthio)-2-hydroxyacetic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-hexylsulfanyl-2-hydroxyacetate Traditional Name: 2-(hexylthio)-2-hydroxy-acetic acid isohexyl ester Formula: C14H28O3S MolecularWeight: 276.43532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C(=O)OCCCC(C)C)O

Isomeric SMILES

CCCCCCSC(C(=O)OCCCC(C)C)O

InChI

InChI=1S/C14H28O3S/c1-4-5-6-7-11-18-14(16)13(15)17-10-8-9-12(2)3/h12,14,16H,4-11H2,1-3H3