3-phenylpropyl 2-[6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: 3-phenylpropyl 2-[6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: 3-phenylpropyl 2-[6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetate CAS Name: 2-[[6-chloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl]oxy]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[6-chloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[6-chloro-4-keto-2-(p-tolyl)chromen-3-yl]oxyacetic acid 3-phenylpropyl ester Formula: C27H23ClO5 MolecularWeight: 462.92152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C27H23ClO5/c1-18-9-11-20(12-10-18)26-27(25(30)22-16-21(28)13-14-23(22)33-26)32-17-24(29)31-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3