(E)-2-phenylsulfanyloct-4-enoic acid

Systemtic Name: (E)-2-phenylsulfanyloct-4-enoic acid Openeye Name: (E)-2-phenylsulfanyloct-4-enoic acid CAS Name: (E)-2-(phenylthio)-4-octenoic acid IUPAC Name: (E)-2-phenylsulfanyloct-4-enoic acid Traditional Name: (E)-2-(phenylthio)oct-4-enoic acid Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCC(C(=O)O)SC1=CC=CC=C1

Isomeric SMILES

CCC/C=C/CC(C(=O)O)SC1=CC=CC=C1

InChI

InChI=1S/C14H18O2S/c1-2-3-4-8-11-13(14(15)16)17-12-9-6-5-7-10-12/h4-10,13H,2-3,11H2,1H3,(H,15,16)/b8-4+