2-butyl-5-hexanoylsulfanyl-octanoic acid

Systemtic Name: 2-butyl-5-hexanoylsulfanyl-octanoic acid Openeye Name: 2-butyl-5-hexanoylsulfanyl-octanoic acid CAS Name: 2-butyl-5-(1-oxohexylthio)octanoic acid IUPAC Name: 2-butyl-5-hexanoylsulfanyloctanoic acid Traditional Name: 2-butyl-5-(caproylthio)caprylic acid Formula: C18H34O3S MolecularWeight: 330.52576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SC(CCC)CCC(CCCC)C(=O)O

Isomeric SMILES

CCCCCC(=O)SC(CCC)CCC(CCCC)C(=O)O

InChI

InChI=1S/C18H34O3S/c1-4-7-9-12-17(19)22-16(10-6-3)14-13-15(18(20)21)11-8-5-2/h15-16H,4-14H2,1-3H3,(H,20,21)