7-bromanyl-4-(2-hydroxyethylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-bromanyl-4-(2-hydroxyethylsulfanylmethyl)chromen-2-one Openeye Name: 7-bromo-4-(2-hydroxyethylsulfanylmethyl)chromen-2-one CAS Name: 7-bromo-4-[(2-hydroxyethylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-(2-hydroxyethylsulfanylmethyl)chromen-2-one Traditional Name: 7-bromo-4-[(2-hydroxyethylthio)methyl]coumarin Formula: C12H11BrO3S MolecularWeight: 315.18294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CSCCO

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CSCCO

InChI

InChI=1S/C12H11BrO3S/c13-9-1-2-10-8(7-17-4-3-14)5-12(15)16-11(10)6-9/h1-2,5-6,14H,3-4,7H2