[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-2-yl]methyl 3,4,5-trimethoxybenzoate

Systemtic Name: [1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-2-yl]methyl 3,4,5-trimethoxybenzoate Openeye Name: (1,1-dioxo-3,4-dihydro-2H-thiochromen-2-yl)methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)methyl ester IUPAC Name: (1,1-dioxo-3,4-dihydro-2H-thiochromen-2-yl)methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (1,1-diketo-3,4-dihydro-2H-thiochromen-2-yl)methyl ester Formula: C20H22O7S MolecularWeight: 406.44948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2CCC3=CC=CC=C3S2(=O)=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2CCC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H22O7S/c1-24-16-10-14(11-17(25-2)19(16)26-3)20(21)27-12-15-9-8-13-6-4-5-7-18(13)28(15,22)23/h4-7,10-11,15H,8-9,12H2,1-3H3