[5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] 4-ethylbenzoate

Systemtic Name: [5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] 4-ethylbenzoate Openeye Name: (3-benzyl-5-chloro-2-oxo-chromen-4-yl) 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [5-chloro-2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-5-chloro-2-oxochromen-4-yl) 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (3-benzyl-5-chloro-2-keto-chromen-4-yl) ester Formula: C25H19ClO4 MolecularWeight: 418.86896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2=C(C(=O)OC3=C2C(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2=C(C(=O)OC3=C2C(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H19ClO4/c1-2-16-11-13-18(14-12-16)24(27)30-23-19(15-17-7-4-3-5-8-17)25(28)29-21-10-6-9-20(26)22(21)23/h3-14H,2,15H2,1H3