7-heptan-2-ylsulfanyl-2,2-dimethyl-5-oxidanyl-3H-chromen-4-one

Systemtic Name: 7-heptan-2-ylsulfanyl-2,2-dimethyl-5-oxidanyl-3H-chromen-4-one Openeye Name: 5-hydroxy-2,2-dimethyl-7-(1-methylhexylsulfanyl)chroman-4-one CAS Name: 7-(heptan-2-ylthio)-5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 7-heptan-2-ylsulfanyl-5-hydroxy-2,2-dimethyl-3H-chromen-4-one Traditional Name: 5-hydroxy-2,2-dimethyl-7-(1-methylhexylthio)chroman-4-one Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)SC1=CC(=C2C(=O)CC(OC2=C1)(C)C)O

Isomeric SMILES

CCCCCC(C)SC1=CC(=C2C(=O)CC(OC2=C1)(C)C)O

InChI

InChI=1S/C18H26O3S/c1-5-6-7-8-12(2)22-13-9-14(19)17-15(20)11-18(3,4)21-16(17)10-13/h9-10,12,19H,5-8,11H2,1-4H3