3-hexyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethoxy]-4,8-dimethyl-chromen-2-one

Systemtic Name: 3-hexyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethoxy]-4,8-dimethyl-chromen-2-one Openeye Name: 3-hexyl-7-[2-(3-methoxyphenyl)-2-oxo-ethoxy]-4,8-dimethyl-chromen-2-one CAS Name: 3-hexyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 3-hexyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4,8-dimethylchromen-2-one Traditional Name: 3-hexyl-7-[2-keto-2-(3-methoxyphenyl)ethoxy]-4,8-dimethyl-coumarin Formula: C26H30O5 MolecularWeight: 422.5134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O5/c1-5-6-7-8-12-22-17(2)21-13-14-24(18(3)25(21)31-26(22)28)30-16-23(27)19-10-9-11-20(15-19)29-4/h9-11,13-15H,5-8,12,16H2,1-4H3