(6-ethanoyl-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-5-yl) benzoate

Systemtic Name: (6-ethanoyl-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-5-yl) benzoate Openeye Name: (6-acetyl-7-methoxy-2,2-dimethyl-chroman-5-yl) benzoate CAS Name: benzoic acid (6-acetyl-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl) ester IUPAC Name: (6-acetyl-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-5-yl) benzoate Traditional Name: benzoic acid (6-acetyl-7-methoxy-2,2-dimethyl-chroman-5-yl) ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C2C(=C1OC(=O)C3=CC=CC=C3)CCC(O2)(C)C)OC

Isomeric SMILES

CC(=O)C1=C(C=C2C(=C1OC(=O)C3=CC=CC=C3)CCC(O2)(C)C)OC

InChI

InChI=1S/C21H22O5/c1-13(22)18-17(24-4)12-16-15(10-11-21(2,3)26-16)19(18)25-20(23)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3