3-[2,4-bis(trifluoromethyl)phenyl]-4-[(4-hydroxyphenyl)methyl]-7-methoxy-chromen-2-one

Systemtic Name: 3-[2,4-bis(trifluoromethyl)phenyl]-4-[(4-hydroxyphenyl)methyl]-7-methoxy-chromen-2-one Openeye Name: 3-[2,4-bis(trifluoromethyl)phenyl]-4-[(4-hydroxyphenyl)methyl]-7-methoxy-chromen-2-one CAS Name: 3-[2,4-bis(trifluoromethyl)phenyl]-4-[(4-hydroxyphenyl)methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-4-[(4-hydroxyphenyl)methyl]-7-methoxychromen-2-one Traditional Name: 3-[2,4-bis(trifluoromethyl)phenyl]-4-(4-hydroxybenzyl)-7-methoxy-coumarin Formula: C25H16F6O4 MolecularWeight: 494.382559

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)O

InChI

InChI=1S/C25H16F6O4/c1-34-16-7-9-17-19(10-13-2-5-15(32)6-3-13)22(23(33)35-21(17)12-16)18-8-4-14(24(26,27)28)11-20(18)25(29,30)31/h2-9,11-12,32H,10H2,1H3