sodium 2-oxidanyl-2-[4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate

Systemtic Name: sodium 2-oxidanyl-2-[4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate Openeye Name: sodium 2-hydroxy-2-[4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate CAS Name: sodium 2-hydroxy-2-[4-[4-(1-oxoprop-2-enylamino)butoxy]phenyl]propanoate IUPAC Name: sodium 2-hydroxy-2-[4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate Traditional Name: sodium 2-[4-(4-acrylamidobutoxy)phenyl]-2-hydroxy-propionate Formula: C16H20NNaO5 MolecularWeight: 329.32347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCCCCNC(=O)C=C)(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C1=CC=C(C=C1)OCCCCNC(=O)C=C)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H21NO5.Na/c1-3-14(18)17-10-4-5-11-22-13-8-6-12(7-9-13)16(2,21)15(19)20;/h3,6-9,21H,1,4-5,10-11H2,2H3,(H,17,18)(H,19,20);/q;+1/p-1