4-butyl-7-methyl-5-[2-oxidanylidene-2-(4-phenylphenyl)ethoxy]chromen-2-one

Systemtic Name: 4-butyl-7-methyl-5-[2-oxidanylidene-2-(4-phenylphenyl)ethoxy]chromen-2-one Openeye Name: 4-butyl-7-methyl-5-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one CAS Name: 4-butyl-7-methyl-5-[2-oxo-2-(4-phenylphenyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-methyl-5-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one Traditional Name: 4-butyl-5-[2-keto-2-(4-phenylphenyl)ethoxy]-7-methyl-coumarin Formula: C28H26O4 MolecularWeight: 426.50364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26O4/c1-3-4-8-23-17-27(30)32-26-16-19(2)15-25(28(23)26)31-18-24(29)22-13-11-21(12-14-22)20-9-6-5-7-10-20/h5-7,9-17H,3-4,8,18H2,1-2H3