6-bromanyl-4-butoxy-3-pentyl-chromen-2-one

Systemtic Name: 6-bromanyl-4-butoxy-3-pentyl-chromen-2-one Openeye Name: 6-bromo-4-butoxy-3-pentyl-chromen-2-one CAS Name: 6-bromo-4-butoxy-3-pentyl-1-benzopyran-2-one IUPAC Name: 6-bromo-4-butoxy-3-pentylchromen-2-one Traditional Name: 3-amyl-6-bromo-4-butoxy-coumarin Formula: C18H23BrO3 MolecularWeight: 367.27742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(C=CC(=C2)Br)OC1=O)OCCCC

Isomeric SMILES

CCCCCC1=C(C2=C(C=CC(=C2)Br)OC1=O)OCCCC

InChI

InChI=1S/C18H23BrO3/c1-3-5-7-8-14-17(21-11-6-4-2)15-12-13(19)9-10-16(15)22-18(14)20/h9-10,12H,3-8,11H2,1-2H3