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

Systemtic Name: 5-[(E)-3-oxidanylidene-3-(propylamino)prop-1-enyl]furan-2-sulfonic acid Openeye Name: 5-[(E)-3-oxo-3-(propylamino)prop-1-enyl]furan-2-sulfonic acid CAS Name: 5-[(E)-3-oxo-3-(propylamino)prop-1-enyl]-2-furansulfonic acid IUPAC Name: 5-[(E)-3-oxo-3-(propylamino)prop-1-enyl]furan-2-sulfonic acid Traditional Name: 5-[(E)-3-keto-3-(propylamino)prop-1-enyl]furan-2-sulfonic acid Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C=CC1=CC=C(O1)S(=O)(=O)O

Isomeric SMILES

CCCNC(=O)/C=C/C1=CC=C(O1)S(=O)(=O)O

InChI

InChI=1S/C10H13NO5S/c1-2-7-11-9(12)5-3-8-4-6-10(16-8)17(13,14)15/h3-6H,2,7H2,1H3,(H,11,12)(H,13,14,15)/b5-3+