(2E)-4-(1-sulfopropylcarbamoyl)penta-2,4-dienoic acid

Systemtic Name: (2E)-4-(1-sulfopropylcarbamoyl)penta-2,4-dienoic acid Openeye Name: (2E)-4-(1-sulfopropylcarbamoyl)penta-2,4-dienoic acid CAS Name: (2E)-4-[oxo-(1-sulfopropylamino)methyl]penta-2,4-dienoic acid IUPAC Name: (2E)-4-(1-sulfopropylcarbamoyl)penta-2,4-dienoic acid Traditional Name: (2E)-4-(1-sulfopropylcarbamoyl)penta-2,4-dienoic acid Formula: C9H13NO6S MolecularWeight: 263.26762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C(=C)C=CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(NC(=O)C(=C)/C=C/C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H13NO6S/c1-3-7(17(14,15)16)10-9(13)6(2)4-5-8(11)12/h4-5,7H,2-3H2,1H3,(H,10,13)(H,11,12)(H,14,15,16)/b5-4+