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

Systemtic Name: 4-[[4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]butanoate Openeye Name: 4-[[4-[(E)-3-oxido-3-oxo-prop-1-enyl]phenyl]sulfonylamino]butanoate CAS Name: 4-[[4-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoate IUPAC Name: 4-[[4-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylamino]butanoate Traditional Name: 4-[[4-[(E)-3-keto-3-oxido-prop-1-enyl]phenyl]sulfonylamino]butyrate Formula: C13H13NO6S-2 MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)[O-])S(=O)(=O)NCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6S/c15-12(16)2-1-9-14-21(19,20)11-6-3-10(4-7-11)5-8-13(17)18/h3-8,14H,1-2,9H2,(H,15,16)(H,17,18)/p-2/b8-5+