ethyl 4-(7-oxidanyl-4-oxidanylidene-8-propyl-chromen-2-yl)benzoate

Systemtic Name: ethyl 4-(7-oxidanyl-4-oxidanylidene-8-propyl-chromen-2-yl)benzoate Openeye Name: ethyl 4-(7-hydroxy-4-oxo-8-propyl-chromen-2-yl)benzoate CAS Name: 4-(7-hydroxy-4-oxo-8-propyl-1-benzopyran-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(7-hydroxy-4-oxo-8-propylchromen-2-yl)benzoate Traditional Name: 4-(7-hydroxy-4-keto-8-propyl-chromen-2-yl)benzoic acid ethyl ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C21H20O5/c1-3-5-15-17(22)11-10-16-18(23)12-19(26-20(15)16)13-6-8-14(9-7-13)21(24)25-4-2/h6-12,22H,3-5H2,1-2H3