sodium (Z,4S)-4-(4-chlorophenyl)-4-oxidanyl-but-2-enoate

Systemtic Name: sodium (Z,4S)-4-(4-chlorophenyl)-4-oxidanyl-but-2-enoate Openeye Name: sodium (Z,4S)-4-(4-chlorophenyl)-4-hydroxy-but-2-enoate CAS Name: sodium (Z,4S)-4-(4-chlorophenyl)-4-hydroxy-2-butenoate IUPAC Name: sodium (Z,4S)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate Traditional Name: sodium (Z,4S)-4-(4-chlorophenyl)-4-hydroxy-but-2-enoate Formula: C10H8ClNaO3 MolecularWeight: 234.61149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1[C@H](/C=C\C(=O)[O-])O)Cl.[Na+]

InChI

InChI=1S/C10H9ClO3.Na/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;/h1-6,9,12H,(H,13,14);/q;+1/p-1/b6-5-;/t9-;/m0./s1