ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-4-oxidanyl-phenyl]sulfinylbenzoate

Systemtic Name: ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-4-oxidanyl-phenyl]sulfinylbenzoate Openeye Name: ethyl 3-[3-(3-ethoxy-3-oxo-propyl)-4-hydroxy-phenyl]sulfinylbenzoate CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]sulfinylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]sulfinylbenzoate Traditional Name: 3-[3-(3-ethoxy-3-keto-propyl)-4-hydroxy-phenyl]sulfinylbenzoic acid ethyl ester Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC(=C1)S(=O)C2=CC=CC(=C2)C(=O)OCC)O

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC(=C1)S(=O)C2=CC=CC(=C2)C(=O)OCC)O

InChI

InChI=1S/C20H22O6S/c1-3-25-19(22)11-8-14-12-17(9-10-18(14)21)27(24)16-7-5-6-15(13-16)20(23)26-4-2/h5-7,9-10,12-13,21H,3-4,8,11H2,1-2H3