methyl 8-methyl-5,5-bis(oxidanylidene)-3,4-dihydro-2H-1,5$l^{6}-benzoxathiepine-7-carboxylate

Systemtic Name: methyl 8-methyl-5,5-bis(oxidanylidene)-3,4-dihydro-2H-1,5$l^{6}-benzoxathiepine-7-carboxylate Openeye Name: methyl 8-methyl-5,5-dioxo-3,4-dihydro-2H-1,5$l^{6}-benzoxathiepine-7-carboxylate CAS Name: 8-methyl-5,5-dioxo-3,4-dihydro-2H-1,5$l^{6}-benzoxathiepin-7-carboxylic acid methyl ester IUPAC Name: methyl 8-methyl-5,5-dioxo-3,4-dihydro-2H-1,5$l^{6}-benzoxathiepine-7-carboxylate Traditional Name: 5,5-diketo-8-methyl-3,4-dihydro-2H-1,5$l^{6}-benzoxathiepin-7-carboxylic acid methyl ester Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)OC)S(=O)(=O)CCCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)OC)S(=O)(=O)CCCO2

InChI

InChI=1S/C12H14O5S/c1-8-6-10-11(7-9(8)12(13)16-2)18(14,15)5-3-4-17-10/h6-7H,3-5H2,1-2H3