(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C20H20O8S MolecularWeight: 420.433

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H20O8S/c1-25-20(22)19(14-5-3-2-4-6-14)28-18(21)9-12-29(23,24)15-7-8-16-17(13-15)27-11-10-26-16/h2-8,13,19H,9-12H2,1H3