3,3,5-trimethyl-2-(phenylcarbonyl)-2H-chromen-4-one hydrochloride

Systemtic Name: 3,3,5-trimethyl-2-(phenylcarbonyl)-2H-chromen-4-one hydrochloride Openeye Name: 2-benzoyl-3,3,5-trimethyl-chroman-4-one hydrochloride CAS Name: 2-benzoyl-3,3,5-trimethyl-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride IUPAC Name: 2-benzoyl-3,3,5-trimethyl-2H-chromen-4-one hydrochloride Traditional Name: 2-benzoyl-3,3,5-trimethyl-chroman-4-one hydrochloride Formula: C19H19ClO3 MolecularWeight: 330.80536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(C(C2=O)(C)C)C(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C2C(=CC=C1)OC(C(C2=O)(C)C)C(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C19H18O3.ClH/c1-12-8-7-11-14-15(12)17(21)19(2,3)18(22-14)16(20)13-9-5-4-6-10-13;/h4-11,18H,1-3H3;1H