3-[[2-methoxy-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[2-methoxy-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methoxyphenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methoxyphenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-methoxy-phenyl]sulfonylamino]propionic acid Formula: C13H15NO7S MolecularWeight: 329.3257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C13H15NO7S/c1-21-10-4-2-9(3-5-12(15)16)8-11(10)22(19,20)14-7-6-13(17)18/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H,17,18)/b5-3+