dimethyl phenoxathiine-4,6-dicarboxylate

Systemtic Name: dimethyl phenoxathiine-4,6-dicarboxylate Openeye Name: dimethyl phenoxathiine-4,6-dicarboxylate CAS Name: phenoxathiine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl phenoxathiine-4,6-dicarboxylate Traditional Name: phenoxathiine-4,6-dicarboxylic acid dimethyl ester Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)SC3=CC=CC(=C3O2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)SC3=CC=CC(=C3O2)C(=O)OC

InChI

InChI=1S/C16H12O5S/c1-19-15(17)9-5-3-7-11-13(9)21-14-10(16(18)20-2)6-4-8-12(14)22-11/h3-8H,1-2H3