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

Systemtic Name: 3-[hexadecylsulfanyl(oxidanyl)methyl]-3,4-bis(oxidanyl)pentanoic acid Openeye Name: 3-[hexadecylsulfanyl(hydroxy)methyl]-3,4-dihydroxy-pentanoic acid CAS Name: 3-[(hexadecylthio)-hydroxymethyl]-3,4-dihydroxypentanoic acid IUPAC Name: 3-[hexadecylsulfanyl(hydroxy)methyl]-3,4-dihydroxypentanoic acid Traditional Name: 3-[(cetylthio)-hydroxy-methyl]-3,4-dihydroxy-valeric acid Formula: C22H44O5S MolecularWeight: 420.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C(CC(=O)O)(C(C)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C(CC(=O)O)(C(C)O)O)O

InChI

InChI=1S/C22H44O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-21(26)22(27,19(2)23)18-20(24)25/h19,21,23,26-27H,3-18H2,1-2H3,(H,24,25)