(3E)-2,2-dimethyl-5-oxidanyl-3-(oxidanylmethylidene)-7-(4-phenoxybutan-2-yl)chromen-4-one

Systemtic Name: (3E)-2,2-dimethyl-5-oxidanyl-3-(oxidanylmethylidene)-7-(4-phenoxybutan-2-yl)chromen-4-one Openeye Name: (3E)-5-hydroxy-3-(hydroxymethylene)-2,2-dimethyl-7-(1-methyl-3-phenoxy-propyl)chroman-4-one CAS Name: (3E)-5-hydroxy-3-(hydroxymethylidene)-2,2-dimethyl-7-(4-phenoxybutan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3E)-5-hydroxy-3-(hydroxymethylidene)-2,2-dimethyl-7-(4-phenoxybutan-2-yl)chromen-4-one Traditional Name: (3E)-5-hydroxy-3-(hydroxymethylene)-2,2-dimethyl-7-(1-methyl-3-phenoxy-propyl)chroman-4-one Formula: C22H24O5 MolecularWeight: 368.42296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=CC=C1)C2=CC3=C(C(=C2)O)C(=O)C(=CO)C(O3)(C)C

Isomeric SMILES

CC(CCOC1=CC=CC=C1)C2=CC3=C(C(=C2)O)C(=O)/C(=C/O)/C(O3)(C)C

InChI

InChI=1S/C22H24O5/c1-14(9-10-26-16-7-5-4-6-8-16)15-11-18(24)20-19(12-15)27-22(2,3)17(13-23)21(20)25/h4-8,11-14,23-24H,9-10H2,1-3H3/b17-13-