5-[(E)-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-sulfonic acid

Systemtic Name: 5-[(E)-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-sulfonic acid Openeye Name: 5-[(E)-3-(cyclohexylamino)-3-oxo-prop-1-enyl]furan-2-sulfonic acid CAS Name: 5-[(E)-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-furansulfonic acid IUPAC Name: 5-[(E)-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-sulfonic acid Traditional Name: 5-[(E)-3-(cyclohexylamino)-3-keto-prop-1-enyl]furan-2-sulfonic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C=CC2=CC=C(O2)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)/C=C/C2=CC=C(O2)S(=O)(=O)O

InChI

InChI=1S/C13H17NO5S/c15-12(14-10-4-2-1-3-5-10)8-6-11-7-9-13(19-11)20(16,17)18/h6-10H,1-5H2,(H,14,15)(H,16,17,18)/b8-6+