(E)-4-oxidanyl-2-oxidanylidene-4-(5-phenylsulfanylfuran-3-yl)but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-(5-phenylsulfanylfuran-3-yl)but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-(5-phenylsulfanyl-3-furyl)but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[5-(phenylthio)-3-furanyl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-(5-phenylsulfanylfuran-3-yl)but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[5-(phenylthio)-3-furyl]but-3-enoic acid Formula: C14H10O5S MolecularWeight: 290.2912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=CO2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=CO2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C14H10O5S/c15-11(7-12(16)14(17)18)9-6-13(19-8-9)20-10-4-2-1-3-5-10/h1-8,15H,(H,17,18)/b11-7+