3-(1,3-dioxan-2-yl)-2-[(4-methylphenyl)-oxidanyl-methyl]chromen-4-one

Systemtic Name: 3-(1,3-dioxan-2-yl)-2-[(4-methylphenyl)-oxidanyl-methyl]chromen-4-one Openeye Name: 3-(1,3-dioxan-2-yl)-2-[hydroxy(p-tolyl)methyl]chromen-4-one CAS Name: 3-(1,3-dioxan-2-yl)-2-[hydroxy-(4-methylphenyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-dioxan-2-yl)-2-[hydroxy-(4-methylphenyl)methyl]chromen-4-one Traditional Name: 3-(1,3-dioxan-2-yl)-2-[hydroxy(p-tolyl)methyl]chromone Formula: C21H20O5 MolecularWeight: 352.3805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(C(=O)C3=CC=CC=C3O2)C4OCCCO4)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(C(=O)C3=CC=CC=C3O2)C4OCCCO4)O

InChI

InChI=1S/C21H20O5/c1-13-7-9-14(10-8-13)18(22)20-17(21-24-11-4-12-25-21)19(23)15-5-2-3-6-16(15)26-20/h2-3,5-10,18,21-22H,4,11-12H2,1H3