(3-bromophenyl) 4,4-bis(oxidanylidene)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxylate

Systemtic Name: (3-bromophenyl) 4,4-bis(oxidanylidene)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxylate Openeye Name: (3-bromophenyl) 4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxylate CAS Name: 4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxylate Traditional Name: 4,4-diketo-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxylic acid (3-bromophenyl) ester Formula: C17H13BrO5S MolecularWeight: 409.25112

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C(=C(O1)C(=O)OC2=CC(=CC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C(=C(O1)C(=O)OC2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C17H13BrO5S/c18-13-7-4-8-14(11-13)23-17(19)15-16(12-5-2-1-3-6-12)24(20,21)10-9-22-15/h1-8,11H,9-10H2