sodium (E)-2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-4-oxidanylidene-pent-2-enoate

Systemtic Name: sodium (E)-2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-4-oxidanylidene-pent-2-enoate Openeye Name: sodium (E)-2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-4-oxo-pent-2-enoate CAS Name: sodium (E)-2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-4-oxo-2-pentenoate IUPAC Name: sodium (E)-2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-4-oxopent-2-enoate Traditional Name: sodium (E)-2-(4-chlorophenyl)-4-keto-3-(4-mesylphenyl)pent-2-enoate Formula: C18H14ClNaO5S MolecularWeight: 400.80853

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=C(C=C1)Cl)C(=O)[O-])C2=CC=C(C=C2)S(=O)(=O)C.[Na+]

Isomeric SMILES

CC(=O)/C(=C(\C1=CC=C(C=C1)Cl)/C(=O)[O-])/C2=CC=C(C=C2)S(=O)(=O)C.[Na+]

InChI

InChI=1S/C18H15ClO5S.Na/c1-11(20)16(12-5-9-15(10-6-12)25(2,23)24)17(18(21)22)13-3-7-14(19)8-4-13;/h3-10H,1-2H3,(H,21,22);/q;+1/p-1/b17-16-;