4-[(4-chlorophenyl)methylsulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(4-chlorophenyl)methylthio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(4-chlorobenzyl)thio]methyl]-7-hydroxy-coumarin Formula: C17H13ClO3S MolecularWeight: 332.80132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

InChI

InChI=1S/C17H13ClO3S/c18-13-3-1-11(2-4-13)9-22-10-12-7-17(20)21-16-8-14(19)5-6-15(12)16/h1-8,19H,9-10H2