(E)-5-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylnonadec-6-enoic acid

Systemtic Name: (E)-5-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylnonadec-6-enoic acid Openeye Name: (E)-5-(4-hydroxy-4-oxo-butyl)sulfanylnonadec-6-enoic acid CAS Name: (E)-5-[(4-hydroxy-4-oxobutyl)thio]-6-nonadecenoic acid IUPAC Name: (E)-5-(4-hydroxy-4-oxobutyl)sulfanylnonadec-6-enoic acid Traditional Name: (E)-5-[(4-hydroxy-4-keto-butyl)thio]nonadec-6-enoic acid Formula: C23H42O4S MolecularWeight: 414.64218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(CCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C23H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(17-14-18-22(24)25)28-20-15-19-23(26)27/h13,16,21H,2-12,14-15,17-20H2,1H3,(H,24,25)(H,26,27)/b16-13+