6-hexyl-4-phenyl-7-phenylmethoxy-chromen-2-one

Systemtic Name: 6-hexyl-4-phenyl-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-6-hexyl-4-phenyl-chromen-2-one CAS Name: 6-hexyl-4-phenyl-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 6-hexyl-4-phenyl-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-6-hexyl-4-phenyl-coumarin Formula: C28H28O3 MolecularWeight: 412.52012

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H28O3/c1-2-3-4-9-16-23-17-25-24(22-14-10-6-11-15-22)18-28(29)31-27(25)19-26(23)30-20-21-12-7-5-8-13-21/h5-8,10-15,17-19H,2-4,9,16,20H2,1H3