21-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylhenicosanoic acid

Systemtic Name: 21-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylhenicosanoic acid Openeye Name: 21-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanylhenicosanoic acid CAS Name: 21-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]heneicosanoic acid IUPAC Name: 21-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanylhenicosanoic acid Traditional Name: 21-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]heneicosanoic acid Formula: C31H52O5S MolecularWeight: 536.80658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCC(=O)O)SCCCCCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCC(=O)O)SCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C31H52O5S/c32-30(33)24-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20-27-37-29-23-19-18-22-28(29)36-26-21-25-31(34)35/h18-19,22-23H,1-17,20-21,24-27H2,(H,32,33)(H,34,35)