(E)-3-[3-oxidanyl-4-(1-phenylethylsulfanyl)phenyl]but-2-enoic acid

Systemtic Name: (E)-3-[3-oxidanyl-4-(1-phenylethylsulfanyl)phenyl]but-2-enoic acid Openeye Name: (E)-3-[3-hydroxy-4-(1-phenylethylsulfanyl)phenyl]but-2-enoic acid CAS Name: (E)-3-[3-hydroxy-4-(1-phenylethylthio)phenyl]-2-butenoic acid IUPAC Name: (E)-3-[3-hydroxy-4-(1-phenylethylsulfanyl)phenyl]but-2-enoic acid Traditional Name: (E)-3-[3-hydroxy-4-(1-phenylethylthio)phenyl]but-2-enoic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=C(C=C(C=C2)C(=CC(=O)O)C)O

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=C(C=C(C=C2)/C(=C/C(=O)O)/C)O

InChI

InChI=1S/C18H18O3S/c1-12(10-18(20)21)15-8-9-17(16(19)11-15)22-13(2)14-6-4-3-5-7-14/h3-11,13,19H,1-2H3,(H,20,21)/b12-10+