6-hexyl-7-[(4-methylphenyl)methoxy]-4-phenyl-chromen-2-one

Systemtic Name: 6-hexyl-7-[(4-methylphenyl)methoxy]-4-phenyl-chromen-2-one Openeye Name: 6-hexyl-4-phenyl-7-(p-tolylmethoxy)chromen-2-one CAS Name: 6-hexyl-7-[(4-methylphenyl)methoxy]-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-[(4-methylphenyl)methoxy]-4-phenylchromen-2-one Traditional Name: 6-hexyl-7-(4-methylbenzyl)oxy-4-phenyl-coumarin Formula: C29H30O3 MolecularWeight: 426.5467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=C(C=C4)C

InChI

InChI=1S/C29H30O3/c1-3-4-5-7-12-24-17-26-25(23-10-8-6-9-11-23)18-29(30)32-28(26)19-27(24)31-20-22-15-13-21(2)14-16-22/h6,8-11,13-19H,3-5,7,12,20H2,1-2H3