1-[4-[(6-oxidanyl-3,4-dihydro-2H-chromen-7-yl)methylsulfanyl]phenyl]ethanone

Systemtic Name: 1-[4-[(6-oxidanyl-3,4-dihydro-2H-chromen-7-yl)methylsulfanyl]phenyl]ethanone Openeye Name: 1-[4-[(6-hydroxychroman-7-yl)methylsulfanyl]phenyl]ethanone CAS Name: 1-[4-[(6-hydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)methylthio]phenyl]ethanone IUPAC Name: 1-[4-[(6-hydroxy-3,4-dihydro-2H-chromen-7-yl)methylsulfanyl]phenyl]ethanone Traditional Name: 1-[4-[(6-hydroxychroman-7-yl)methylthio]phenyl]ethanone Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SCC2=C(C=C3CCCOC3=C2)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SCC2=C(C=C3CCCOC3=C2)O

InChI

InChI=1S/C18H18O3S/c1-12(19)13-4-6-16(7-5-13)22-11-15-10-18-14(9-17(15)20)3-2-8-21-18/h4-7,9-10,20H,2-3,8,11H2,1H3