[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] 2,5-dimethoxybenzoate

Systemtic Name: [3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] 2,5-dimethoxybenzoate Openeye Name: [3-[(2-chloro-6-fluoro-phenyl)methyl]-2-oxo-4-propyl-chromen-7-yl] 2,5-dimethoxybenzoate CAS Name: 2,5-dimethoxybenzoic acid [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propylchromen-7-yl] 2,5-dimethoxybenzoate Traditional Name: 2,5-dimethoxybenzoic acid [3-(2-chloro-6-fluoro-benzyl)-2-keto-4-propyl-chromen-7-yl] ester Formula: C28H24ClFO6 MolecularWeight: 510.937963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(C=CC(=C3)OC)OC)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(C=CC(=C3)OC)OC)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C28H24ClFO6/c1-4-6-18-19-11-9-17(35-28(32)22-13-16(33-2)10-12-25(22)34-3)14-26(19)36-27(31)20(18)15-21-23(29)7-5-8-24(21)30/h5,7-14H,4,6,15H2,1-3H3