3-phenoxypropane-1-sulfonate

Systemtic Name: 3-phenoxypropane-1-sulfonate Openeye Name: 3-phenoxypropane-1-sulfonate CAS Name: 3-phenoxy-1-propanesulfonate IUPAC Name: 3-phenoxypropane-1-sulfonate Traditional Name: 3-phenoxypropane-1-sulfonate Formula: C9H11O4S- MolecularWeight: 215.24624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCS(=O)(=O)[O-]

InChI

InChI=1S/C9H12O4S/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,10,11,12)/p-1