3-methylsulfonylbenzo[b][1]benzothiepine-9-carbaldehyde

Systemtic Name: 3-methylsulfonylbenzo[b][1]benzothiepine-9-carbaldehyde Openeye Name: 3-methylsulfonylbenzo[b][1]benzothiepine-9-carbaldehyde CAS Name: 3-methylsulfonyl-9-benzo[b][1]benzothiepincarboxaldehyde IUPAC Name: 3-methylsulfonylbenzo[b][1]benzothiepine-9-carbaldehyde Traditional Name: 3-mesylbenzo[b][1]benzothiepin-9-carbaldehyde Formula: C16H12O3S2 MolecularWeight: 316.39468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)C=O)C=C2

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)C=O)C=C2

InChI

InChI=1S/C16H12O3S2/c1-21(18,19)14-6-7-15-13(9-14)5-4-12-3-2-11(10-17)8-16(12)20-15/h2-10H,1H3