sodium (E)-4-(4-chlorophenyl)-4-oxidanyl-but-2-enoate hydrate

Systemtic Name: sodium (E)-4-(4-chlorophenyl)-4-oxidanyl-but-2-enoate hydrate Openeye Name: sodium (E)-4-(4-chlorophenyl)-4-hydroxy-but-2-enoate hydrate CAS Name: sodium (E)-4-(4-chlorophenyl)-4-hydroxy-2-butenoate hydrate IUPAC Name: sodium (E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate hydrate Traditional Name: sodium (E)-4-(4-chlorophenyl)-4-hydroxy-but-2-enoate hydrate Formula: C10H10ClNaO4 MolecularWeight: 252.62677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C=CC(=O)[O-])O)Cl.O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(/C=C/C(=O)[O-])O)Cl.O.[Na+]

InChI

InChI=1S/C10H9ClO3.Na.H2O/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;;/h1-6,9,12H,(H,13,14);;1H2/q;+1;/p-1/b6-5+;;