sodium 1-oxidanyl-2-oxidanylidene-2-(4-phenethylphenyl)ethanesulfonate

Systemtic Name: sodium 1-oxidanyl-2-oxidanylidene-2-(4-phenethylphenyl)ethanesulfonate Openeye Name: sodium 1-hydroxy-2-oxo-2-(4-phenethylphenyl)ethanesulfonate CAS Name: sodium 1-hydroxy-2-oxo-2-(4-phenethylphenyl)ethanesulfonate IUPAC Name: sodium 1-hydroxy-2-oxo-2-(4-phenethylphenyl)ethanesulfonate Traditional Name: sodium 1-hydroxy-2-keto-2-(4-phenethylphenyl)ethanesulfonate Formula: C16H15NaO5S MolecularWeight: 342.34207

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H16O5S.Na/c17-15(16(18)22(19,20)21)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;/h1-5,8-11,16,18H,6-7H2,(H,19,20,21);/q;+1/p-1