4-[[4-bromanyl-2-(hydroxymethyl)phenoxy]methyl]-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-bromanyl-2-(hydroxymethyl)phenoxy]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(4-bromo-2-methylol-phenoxy)methyl]-6-chloro-7-methyl-coumarin Formula: C18H14BrClO4 MolecularWeight: 409.65836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=C(C=C(C=C3)Br)CO)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=C(C=C(C=C3)Br)CO)Cl

InChI

InChI=1S/C18H14BrClO4/c1-10-4-17-14(7-15(10)20)12(6-18(22)24-17)9-23-16-3-2-13(19)5-11(16)8-21/h2-7,21H,8-9H2,1H3