2-[3,5-bis(chloromethyl)-4-methoxy-phenyl]thiochromen-4-one

Systemtic Name: 2-[3,5-bis(chloromethyl)-4-methoxy-phenyl]thiochromen-4-one Openeye Name: 2-[3,5-bis(chloromethyl)-4-methoxy-phenyl]thiochromen-4-one CAS Name: 2-[3,5-bis(chloromethyl)-4-methoxyphenyl]-1-benzothiopyran-4-one IUPAC Name: 2-[3,5-bis(chloromethyl)-4-methoxyphenyl]thiochromen-4-one Traditional Name: 2-[3,5-bis(chloromethyl)-4-methoxy-phenyl]thiochromen-4-one Formula: C18H14Cl2O2S MolecularWeight: 365.27356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1CCl)C2=CC(=O)C3=CC=CC=C3S2)CCl

Isomeric SMILES

COC1=C(C=C(C=C1CCl)C2=CC(=O)C3=CC=CC=C3S2)CCl

InChI

InChI=1S/C18H14Cl2O2S/c1-22-18-12(9-19)6-11(7-13(18)10-20)17-8-15(21)14-4-2-3-5-16(14)23-17/h2-8H,9-10H2,1H3