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

Systemtic Name: 4-[(2-methylphenyl)methylsulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-(o-tolylmethylsulfanylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-[[(2-methylphenyl)methylthio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(2-methylbenzyl)thio]methyl]coumarin Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=CC=CC=C1CSCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C18H16O3S/c1-12-4-2-3-5-13(12)10-22-11-14-8-18(20)21-17-9-15(19)6-7-16(14)17/h2-9,19H,10-11H2,1H3