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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (7-hydroxy-8-methyl-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-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-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-8-methyl-chromen-4-yl)methyl ester Formula: C21H18O5S2 MolecularWeight: 414.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC=C(C=C3)C4SCCS4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC=C(C=C3)C4SCCS4)O

InChI

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