6,7-dimethoxy-3-thiophen-3-yl-4-(trifluoromethyl)isochromen-1-one

Systemtic Name: 6,7-dimethoxy-3-thiophen-3-yl-4-(trifluoromethyl)isochromen-1-one Openeye Name: 6,7-dimethoxy-3-(3-thienyl)-4-(trifluoromethyl)isochromen-1-one CAS Name: 6,7-dimethoxy-3-(3-thiophenyl)-4-(trifluoromethyl)-2-benzopyran-1-one IUPAC Name: 6,7-dimethoxy-3-thiophen-3-yl-4-(trifluoromethyl)isochromen-1-one Traditional Name: 6,7-dimethoxy-3-(3-thienyl)-4-(trifluoromethyl)isocoumarin Formula: C16H11F3O4S MolecularWeight: 356.31635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C(F)(F)F)OC

InChI

InChI=1S/C16H11F3O4S/c1-21-11-5-9-10(6-12(11)22-2)15(20)23-14(8-3-4-24-7-8)13(9)16(17,18)19/h3-7H,1-2H3