sodium 4-oxidanylidene-5-phenyl-pentane-1-sulfonate

Systemtic Name: sodium 4-oxidanylidene-5-phenyl-pentane-1-sulfonate Openeye Name: sodium 4-oxo-5-phenyl-pentane-1-sulfonate CAS Name: sodium 4-oxo-5-phenyl-1-pentanesulfonate IUPAC Name: sodium 4-oxo-5-phenylpentane-1-sulfonate Traditional Name: sodium 4-keto-5-phenyl-pentane-1-sulfonate Formula: C11H13NaO4S MolecularWeight: 264.27329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S.Na/c12-11(7-4-8-16(13,14)15)9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H,13,14,15);/q;+1/p-1