(phenylmethyl) 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: (phenylmethyl) 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: benzyl 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxyacetate CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxyacetic acid benzyl 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)OCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClO5/c1-28(2,3)20-11-9-19(10-12-20)26-27(25(31)22-15-21(29)13-14-23(22)34-26)33-17-24(30)32-16-18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3