8-ethanoyl-12-oxidanyl-13-propylsulfanyl-tridecanoic acid

Systemtic Name: 8-ethanoyl-12-oxidanyl-13-propylsulfanyl-tridecanoic acid Openeye Name: 8-acetyl-12-hydroxy-13-propylsulfanyl-tridecanoic acid CAS Name: 8-acetyl-12-hydroxy-13-(propylthio)tridecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-13-propylsulfanyltridecanoic acid Traditional Name: 8-acetyl-12-hydroxy-13-(propylthio)tridecanoic acid Formula: C18H34O4S MolecularWeight: 346.52516

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC(CCCC(CCCCCCC(=O)O)C(=O)C)O

Isomeric SMILES

CCCSCC(CCCC(CCCCCCC(=O)O)C(=O)C)O

InChI

InChI=1S/C18H34O4S/c1-3-13-23-14-17(20)11-8-10-16(15(2)19)9-6-4-5-7-12-18(21)22/h16-17,20H,3-14H2,1-2H3,(H,21,22)