6-chloranyl-3-hexyl-7-methoxy-4-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-3-hexyl-7-methoxy-4-methyl-chromen-2-one Openeye Name: 6-chloro-3-hexyl-7-methoxy-4-methyl-chromen-2-one CAS Name: 6-chloro-3-hexyl-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-7-methoxy-4-methylchromen-2-one Traditional Name: 6-chloro-3-hexyl-7-methoxy-4-methyl-coumarin Formula: C17H21ClO3 MolecularWeight: 308.79984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

InChI

InChI=1S/C17H21ClO3/c1-4-5-6-7-8-12-11(2)13-9-14(18)16(20-3)10-15(13)21-17(12)19/h9-10H,4-8H2,1-3H3