4-[[2,3-dimethoxy-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoate

Systemtic Name: 4-[[2,3-dimethoxy-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoate Openeye Name: 4-[[2,3-dimethoxy-5-[(E)-3-oxido-3-oxo-prop-1-enyl]phenyl]sulfonylamino]butanoate CAS Name: 4-[[2,3-dimethoxy-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoate IUPAC Name: 4-[[2,3-dimethoxy-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoate Traditional Name: 4-[[5-[(E)-3-keto-3-oxido-prop-1-enyl]-2,3-dimethoxy-phenyl]sulfonylamino]butyrate Formula: C15H17NO8S-2 MolecularWeight: 371.36238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)[O-])S(=O)(=O)NCCCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)[O-])S(=O)(=O)NCCCC(=O)[O-])OC

InChI

InChI=1S/C15H19NO8S/c1-23-11-8-10(5-6-14(19)20)9-12(15(11)24-2)25(21,22)16-7-3-4-13(17)18/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/p-2/b6-5+