sodium 2-chloranyl-1-oxidanyl-3-phenyl-propane-1-sulfonate

Systemtic Name: sodium 2-chloranyl-1-oxidanyl-3-phenyl-propane-1-sulfonate Openeye Name: sodium 2-chloro-1-hydroxy-3-phenyl-propane-1-sulfonate CAS Name: sodium 2-chloro-1-hydroxy-3-phenyl-1-propanesulfonate IUPAC Name: sodium 2-chloro-1-hydroxy-3-phenylpropane-1-sulfonate Traditional Name: sodium 2-chloro-1-hydroxy-3-phenyl-propane-1-sulfonate Formula: C9H10ClNaO4S MolecularWeight: 272.68107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11ClO4S.Na/c10-8(9(11)15(12,13)14)6-7-4-2-1-3-5-7;/h1-5,8-9,11H,6H2,(H,12,13,14);/q;+1/p-1