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

Systemtic Name: 6-hexyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 6-hexyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-hexyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 6-hexyl-7-hydroxy-4-methyl-coumarin Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O3/c1-3-4-5-6-7-12-9-13-11(2)8-16(18)19-15(13)10-14(12)17/h8-10,17H,3-7H2,1-2H3