(4-phenylmethoxyphenyl) 3-ethanoyl-4-oxidanyl-benzenesulfinate

Systemtic Name: (4-phenylmethoxyphenyl) 3-ethanoyl-4-oxidanyl-benzenesulfinate Openeye Name: (4-benzyloxyphenyl) 3-acetyl-4-hydroxy-benzenesulfinate CAS Name: 3-acetyl-4-hydroxybenzenesulfinic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3-acetyl-4-hydroxybenzenesulfinate Traditional Name: 3-acetyl-4-hydroxy-benzenesulfinic acid (4-benzoxyphenyl) ester Formula: C21H18O5S MolecularWeight: 382.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)S(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)S(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H18O5S/c1-15(22)20-13-19(11-12-21(20)23)27(24)26-18-9-7-17(8-10-18)25-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3