3-hexyl-4,8-dimethyl-7-(1-oxidanylidene-1-phenyl-propan-2-yl)oxy-chromen-2-one

Systemtic Name: 3-hexyl-4,8-dimethyl-7-(1-oxidanylidene-1-phenyl-propan-2-yl)oxy-chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-(1-methyl-2-oxo-2-phenyl-ethoxy)chromen-2-one CAS Name: 3-hexyl-4,8-dimethyl-7-(1-oxo-1-phenylpropan-2-yl)oxy-1-benzopyran-2-one IUPAC Name: 3-hexyl-4,8-dimethyl-7-(1-oxo-1-phenylpropan-2-yl)oxychromen-2-one Traditional Name: 3-hexyl-7-(2-keto-1-methyl-2-phenyl-ethoxy)-4,8-dimethyl-coumarin Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)C3=CC=CC=C3)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)C3=CC=CC=C3)C)OC1=O)C

InChI

InChI=1S/C26H30O4/c1-5-6-7-11-14-22-17(2)21-15-16-23(18(3)25(21)30-26(22)28)29-19(4)24(27)20-12-9-8-10-13-20/h8-10,12-13,15-16,19H,5-7,11,14H2,1-4H3