3-[(3-bromanyl-5-methyl-2-oxidanyl-phenyl)methyl]chromen-2-one

Systemtic Name: 3-[(3-bromanyl-5-methyl-2-oxidanyl-phenyl)methyl]chromen-2-one Openeye Name: 3-[(3-bromo-2-hydroxy-5-methyl-phenyl)methyl]chromen-2-one CAS Name: 3-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]chromen-2-one Traditional Name: 3-(3-bromo-2-hydroxy-5-methyl-benzyl)coumarin Formula: C17H13BrO3 MolecularWeight: 345.18732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)O)CC2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)O)CC2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C17H13BrO3/c1-10-6-12(16(19)14(18)7-10)9-13-8-11-4-2-3-5-15(11)21-17(13)20/h2-8,19H,9H2,1H3