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

Systemtic Name: 6-hexyl-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 6-hexyl-7-hydroxy-4-phenyl-chromen-2-one CAS Name: 6-hexyl-7-hydroxy-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-hydroxy-4-phenylchromen-2-one Traditional Name: 6-hexyl-7-hydroxy-4-phenyl-coumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3/c1-2-3-4-6-11-16-12-18-17(15-9-7-5-8-10-15)13-21(23)24-20(18)14-19(16)22/h5,7-10,12-14,22H,2-4,6,11H2,1H3