1-[4-(3-dimethylsulfoniopropanoylamino)phenoxy]-3-ethoxy-propan-2-olate

Systemtic Name: 1-[4-(3-dimethylsulfoniopropanoylamino)phenoxy]-3-ethoxy-propan-2-olate Openeye Name: 1-[4-(3-dimethylsulfoniopropanoylamino)phenoxy]-3-ethoxy-propan-2-olate CAS Name: 1-[4-[(3-dimethylsulfonio-1-oxopropyl)amino]phenoxy]-3-ethoxy-2-propanolate IUPAC Name: 1-[4-(3-dimethylsulfoniopropanoylamino)phenoxy]-3-ethoxypropan-2-olate Traditional Name: 1-[4-(3-dimethylsulfoniopropanoylamino)phenoxy]-3-ethoxy-propan-2-olate Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)[O-]

Isomeric SMILES

CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)[O-]

InChI

InChI=1S/C16H25NO4S/c1-4-20-11-14(18)12-21-15-7-5-13(6-8-15)17-16(19)9-10-22(2)3/h5-8,14H,4,9-12H2,1-3H3,(H,17,19)