sodium 3-phenylprop-2-yne-1-sulfonate

Systemtic Name: sodium 3-phenylprop-2-yne-1-sulfonate Openeye Name: sodium 3-phenylprop-2-yne-1-sulfonate CAS Name: sodium 3-phenyl-2-propyne-1-sulfonate IUPAC Name: sodium 3-phenylprop-2-yne-1-sulfonate Traditional Name: sodium 3-phenylprop-2-yne-1-sulfonate Formula: C9H7NaO3S MolecularWeight: 218.20485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O3S.Na/c10-13(11,12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,8H2,(H,10,11,12);/q;+1/p-1