sodium (Z)-3-(4-methylsulfonylphenyl)-4-oxidanylidene-2-phenyl-pent-2-enoate

Systemtic Name: sodium (Z)-3-(4-methylsulfonylphenyl)-4-oxidanylidene-2-phenyl-pent-2-enoate Openeye Name: sodium (Z)-3-(4-methylsulfonylphenyl)-4-oxo-2-phenyl-pent-2-enoate CAS Name: sodium (Z)-3-(4-methylsulfonylphenyl)-4-oxo-2-phenyl-2-pentenoate IUPAC Name: sodium (Z)-3-(4-methylsulfonylphenyl)-4-oxo-2-phenylpent-2-enoate Traditional Name: sodium (Z)-4-keto-3-(4-mesylphenyl)-2-phenyl-pent-2-enoate Formula: C18H15NaO5S MolecularWeight: 366.36347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O5S.Na/c1-12(19)16(14-8-10-15(11-9-14)24(2,22)23)17(18(20)21)13-6-4-3-5-7-13;/h3-11H,1-2H3,(H,20,21);/q;+1/p-1/b17-16+;