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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H18O5S2 MolecularWeight: 414.49462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H18O5S2/c1-24-16-6-7-17-15(10-19(22)26-18(17)11-16)12-25-20(23)13-2-4-14(5-3-13)21-27-8-9-28-21/h2-7,10-11,21H,8-9,12H2,1H3