3-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(E)-1-(hydroxymethyl)pentadec-2-enyl]sulfanylpropanoic acid CAS Name: 3-[[(E)-1-hydroxyhexadec-3-en-2-yl]thio]propanoic acid IUPAC Name: 3-[(E)-1-hydroxyhexadec-3-en-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-1-methylolpentadec-2-enyl]thio]propionic acid Formula: C19H36O3S MolecularWeight: 344.55234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CO)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(CO)SCCC(=O)O

InChI

InChI=1S/C19H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(17-20)23-16-15-19(21)22/h13-14,18,20H,2-12,15-17H2,1H3,(H,21,22)/b14-13+