methyl 3-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate Openeye Name: methyl 3-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxymethyl]benzoate CAS Name: 3-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxymethyl]benzoate Traditional Name: 3-[[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxymethyl]benzoic acid methyl ester Formula: C28H25ClO5 MolecularWeight: 476.9481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C28H25ClO5/c1-28(2,3)20-10-8-18(9-11-20)25-26(24(30)22-15-21(29)12-13-23(22)34-25)33-16-17-6-5-7-19(14-17)27(31)32-4/h5-15H,16H2,1-4H3