4-butyl-7,8-bis(phenylmethoxy)chromen-2-one

Systemtic Name: 4-butyl-7,8-bis(phenylmethoxy)chromen-2-one Openeye Name: 7,8-dibenzyloxy-4-butyl-chromen-2-one CAS Name: 4-butyl-7,8-bis(phenylmethoxy)-1-benzopyran-2-one IUPAC Name: 4-butyl-7,8-bis(phenylmethoxy)chromen-2-one Traditional Name: 7,8-dibenzoxy-4-butyl-coumarin Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26O4/c1-2-3-14-22-17-25(28)31-26-23(22)15-16-24(29-18-20-10-6-4-7-11-20)27(26)30-19-21-12-8-5-9-13-21/h4-13,15-17H,2-3,14,18-19H2,1H3