3-chloranyl-2,9-dimethoxy-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 3-chloranyl-2,9-dimethoxy-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 3-chloro-2,9-dimethoxy-6H-benzo[b][1]benzothiepin-5-one CAS Name: 3-chloro-2,9-dimethoxy-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 3-chloro-2,9-dimethoxy-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 3-chloro-2,9-dimethoxy-6H-benzo[b][1]benzothiepin-5-one Formula: C16H13ClO3S MolecularWeight: 320.79062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(=O)C3=CC(=C(C=C3S2)OC)Cl)C=C1

Isomeric SMILES

COC1=CC2=C(CC(=O)C3=CC(=C(C=C3S2)OC)Cl)C=C1

InChI

InChI=1S/C16H13ClO3S/c1-19-10-4-3-9-5-13(18)11-7-12(17)14(20-2)8-16(11)21-15(9)6-10/h3-4,6-8H,5H2,1-2H3