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

Systemtic Name: (E)-4-oxidanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-nonadec-6-enoic acid Openeye Name: (E)-4-hydroxy-5-(4-hydroxy-4-oxo-butyl)sulfanyl-nonadec-6-enoic acid CAS Name: (E)-4-hydroxy-5-[(4-hydroxy-4-oxobutyl)thio]-6-nonadecenoic acid IUPAC Name: (E)-4-hydroxy-5-(4-hydroxy-4-oxobutyl)sulfanylnonadec-6-enoic acid Traditional Name: (E)-4-hydroxy-5-[(4-hydroxy-4-keto-butyl)thio]nonadec-6-enoic acid Formula: C23H42O5S MolecularWeight: 430.64158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21(20(24)17-18-23(27)28)29-19-14-16-22(25)26/h13,15,20-21,24H,2-12,14,16-19H2,1H3,(H,25,26)(H,27,28)/b15-13+