4-[(4-bromophenyl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(4-bromophenyl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(4-bromophenyl)thio]methyl]-7-hydroxy-coumarin Formula: C16H11BrO3S MolecularWeight: 363.22574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)Br

InChI

InChI=1S/C16H11BrO3S/c17-11-1-4-13(5-2-11)21-9-10-7-16(19)20-15-8-12(18)3-6-14(10)15/h1-8,18H,9H2