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

Systemtic Name: 3-hexyl-4-methyl-7-(1-oxidanylidene-1-phenyl-propan-2-yl)oxy-chromen-2-one Openeye Name: 3-hexyl-4-methyl-7-(1-methyl-2-oxo-2-phenyl-ethoxy)chromen-2-one CAS Name: 3-hexyl-4-methyl-7-(1-oxo-1-phenylpropan-2-yl)oxy-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-(1-oxo-1-phenylpropan-2-yl)oxychromen-2-one Traditional Name: 3-hexyl-7-(2-keto-1-methyl-2-phenyl-ethoxy)-4-methyl-coumarin Formula: C25H28O4 MolecularWeight: 392.48742

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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)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28O4/c1-4-5-6-10-13-22-17(2)21-15-14-20(16-23(21)29-25(22)27)28-18(3)24(26)19-11-8-7-9-12-19/h7-9,11-12,14-16,18H,4-6,10,13H2,1-3H3