(5-ethanoyl-2-ethoxy-phenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H22O4S2 MolecularWeight: 402.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H22O4S2/c1-3-24-19-9-8-17(14(2)22)12-18(19)13-25-20(23)15-4-6-16(7-5-15)21-26-10-11-27-21/h4-9,12,21H,3,10-11,13H2,1-2H3