[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 4-fluoranylbenzoate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 4-fluoranylbenzoate Openeye Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester Formula: C22H17FO7 MolecularWeight: 412.364583

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FO7/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h1-9,20-21,24-27H,10H2