3-[(3-bromanyl-5-methyl-4-oxidanyl-phenyl)methyl]chromen-2-one

Systemtic Name: 3-[(3-bromanyl-5-methyl-4-oxidanyl-phenyl)methyl]chromen-2-one Openeye Name: 3-[(3-bromo-4-hydroxy-5-methyl-phenyl)methyl]chromen-2-one CAS Name: 3-[(3-bromo-4-hydroxy-5-methylphenyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-[(3-bromo-4-hydroxy-5-methylphenyl)methyl]chromen-2-one Traditional Name: 3-(3-bromo-4-hydroxy-5-methyl-benzyl)coumarin Formula: C17H13BrO3 MolecularWeight: 345.18732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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