disodium; prop-2-enamide; (2E)-4-(1-sulfonatopropylcarbamoyl)penta-2,4-dienoate

Systemtic Name: disodium; prop-2-enamide; (2E)-4-(1-sulfonatopropylcarbamoyl)penta-2,4-dienoate Openeye Name: disodium; prop-2-enamide; (2E)-4-(1-sulfonatopropylcarbamoyl)penta-2,4-dienoate CAS Name: disodium; (2E)-4-[oxo-(1-sulfonatopropylamino)methyl]penta-2,4-dienoate; 2-propenamide IUPAC Name: disodium; prop-2-enamide; (2E)-4-(1-sulfonatopropylcarbamoyl)penta-2,4-dienoate Traditional Name: disodium; acrylamide; (2E)-4-(1-sulfonatopropylcarbamoyl)penta-2,4-dienoate Formula: C15H21N3Na2O8S MolecularWeight: 449.38708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C(=C)C=CC(=O)[O-])S(=O)(=O)[O-].C=CC(=O)N.C=CC(=O)N.[Na+].[Na+]

Isomeric SMILES

CCC(NC(=O)C(=C)/C=C/C(=O)[O-])S(=O)(=O)[O-].C=CC(=O)N.C=CC(=O)N.[Na+].[Na+]

InChI

InChI=1S/C9H13NO6S.2C3H5NO.2Na/c1-3-7(17(14,15)16)10-9(13)6(2)4-5-8(11)12;2*1-2-3(4)5;;/h4-5,7H,2-3H2,1H3,(H,10,13)(H,11,12)(H,14,15,16);2*2H,1H2,(H2,4,5);;/q;;;2*+1/p-2/b5-4+;;;;