3-[octylsulfanyl(oxidanyl)methyl]-3,4-bis(oxidanyl)pentanoic acid

Systemtic Name: 3-[octylsulfanyl(oxidanyl)methyl]-3,4-bis(oxidanyl)pentanoic acid Openeye Name: 3,4-dihydroxy-3-[hydroxy(octylsulfanyl)methyl]pentanoic acid CAS Name: 3,4-dihydroxy-3-[hydroxy-(octylthio)methyl]pentanoic acid IUPAC Name: 3,4-dihydroxy-3-[hydroxy(octylsulfanyl)methyl]pentanoic acid Traditional Name: 3,4-dihydroxy-3-[hydroxy-(octylthio)methyl]valeric acid Formula: C14H28O5S MolecularWeight: 308.43412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C(CC(=O)O)(C(C)O)O)O

Isomeric SMILES

CCCCCCCCSC(C(CC(=O)O)(C(C)O)O)O

InChI

InChI=1S/C14H28O5S/c1-3-4-5-6-7-8-9-20-13(18)14(19,11(2)15)10-12(16)17/h11,13,15,18-19H,3-10H2,1-2H3,(H,16,17)