3-methyl-2-[[4-(4-oxidanylbutyl)phenyl]methylsulfanyl]chromen-4-one

Systemtic Name: 3-methyl-2-[[4-(4-oxidanylbutyl)phenyl]methylsulfanyl]chromen-4-one Openeye Name: 2-[[4-(4-hydroxybutyl)phenyl]methylsulfanyl]-3-methyl-chromen-4-one CAS Name: 2-[[4-(4-hydroxybutyl)phenyl]methylthio]-3-methyl-1-benzopyran-4-one IUPAC Name: 2-[[4-(4-hydroxybutyl)phenyl]methylsulfanyl]-3-methylchromen-4-one Traditional Name: 2-[[4-(4-hydroxybutyl)benzyl]thio]-3-methyl-chromone Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C2C1=O)SCC3=CC=C(C=C3)CCCCO

Isomeric SMILES

CC1=C(OC2=CC=CC=C2C1=O)SCC3=CC=C(C=C3)CCCCO

InChI

InChI=1S/C21H22O3S/c1-15-20(23)18-7-2-3-8-19(18)24-21(15)25-14-17-11-9-16(10-12-17)6-4-5-13-22/h2-3,7-12,22H,4-6,13-14H2,1H3