(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H16O5S2 MolecularWeight: 400.46804

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H16O5S2/c21-15-5-6-16-14(9-18(22)25-17(16)10-15)11-24-19(23)12-1-3-13(4-2-12)20-26-7-8-27-20/h1-6,9-10,20-21H,7-8,11H2