2-[(E)-1-(6-oxidanylideneoxan-2-yl)-3-phenyl-prop-2-enyl]sulfonylpropanoic acid

Systemtic Name: 2-[(E)-1-(6-oxidanylideneoxan-2-yl)-3-phenyl-prop-2-enyl]sulfonylpropanoic acid Openeye Name: 2-[(E)-1-(6-oxotetrahydropyran-2-yl)-3-phenyl-allyl]sulfonylpropanoic acid CAS Name: 2-[(E)-1-(6-oxo-2-oxanyl)-3-phenylprop-2-enyl]sulfonylpropanoic acid IUPAC Name: 2-[(E)-1-(6-oxooxan-2-yl)-3-phenylprop-2-enyl]sulfonylpropanoic acid Traditional Name: 2-[(E)-1-(6-ketotetrahydropyran-2-yl)-3-phenyl-allyl]sulfonylpropionic acid Formula: C17H20O6S MolecularWeight: 352.4021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)C(C=CC1=CC=CC=C1)C2CCCC(=O)O2

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)C(/C=C/C1=CC=CC=C1)C2CCCC(=O)O2

InChI

InChI=1S/C17H20O6S/c1-12(17(19)20)24(21,22)15(14-8-5-9-16(18)23-14)11-10-13-6-3-2-4-7-13/h2-4,6-7,10-12,14-15H,5,8-9H2,1H3,(H,19,20)/b11-10+