(E)-6-[3-(1-oxidanylhexyl)phenoxy]-2-(sulfanylmethyl)hex-4-enoic acid

Systemtic Name: (E)-6-[3-(1-oxidanylhexyl)phenoxy]-2-(sulfanylmethyl)hex-4-enoic acid Openeye Name: (E)-6-[3-(1-hydroxyhexyl)phenoxy]-2-(sulfanylmethyl)hex-4-enoic acid CAS Name: (E)-6-[3-(1-hydroxyhexyl)phenoxy]-2-(mercaptomethyl)-4-hexenoic acid IUPAC Name: (E)-6-[3-(1-hydroxyhexyl)phenoxy]-2-(sulfanylmethyl)hex-4-enoic acid Traditional Name: (E)-6-[3-(1-hydroxyhexyl)phenoxy]-2-(mercaptomethyl)hex-4-enoic acid Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=CC=C1)OCC=CCC(CS)C(=O)O)O

Isomeric SMILES

CCCCCC(C1=CC(=CC=C1)OC/C=C/CC(CS)C(=O)O)O

InChI

InChI=1S/C19H28O4S/c1-2-3-4-11-18(20)15-9-7-10-17(13-15)23-12-6-5-8-16(14-24)19(21)22/h5-7,9-10,13,16,18,20,24H,2-4,8,11-12,14H2,1H3,(H,21,22)/b6-5+