ethyl 2-chloranyl-3-[4-[(6-ethanoyl-2,8-dimethyl-7-oxidanyl-4-oxidanylidene-3H-chromen-2-yl)methoxy]phenyl]propanoate

Systemtic Name: ethyl 2-chloranyl-3-[4-[(6-ethanoyl-2,8-dimethyl-7-oxidanyl-4-oxidanylidene-3H-chromen-2-yl)methoxy]phenyl]propanoate Openeye Name: ethyl 3-[4-[(6-acetyl-7-hydroxy-2,8-dimethyl-4-oxo-chroman-2-yl)methoxy]phenyl]-2-chloro-propanoate CAS Name: 3-[4-[(6-acetyl-7-hydroxy-2,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl]-2-chloropropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(6-acetyl-7-hydroxy-2,8-dimethyl-4-oxo-3H-chromen-2-yl)methoxy]phenyl]-2-chloropropanoate Traditional Name: 3-[4-[(6-acetyl-7-hydroxy-4-keto-2,8-dimethyl-chroman-2-yl)methoxy]phenyl]-2-chloro-propionic acid ethyl ester Formula: C25H27ClO7 MolecularWeight: 474.93068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCC2(CC(=O)C3=CC(=C(C(=C3O2)C)O)C(=O)C)C)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCC2(CC(=O)C3=CC(=C(C(=C3O2)C)O)C(=O)C)C)Cl

InChI

InChI=1S/C25H27ClO7/c1-5-31-24(30)20(26)10-16-6-8-17(9-7-16)32-13-25(4)12-21(28)19-11-18(15(3)27)22(29)14(2)23(19)33-25/h6-9,11,20,29H,5,10,12-13H2,1-4H3