2,2-dimethyl-6-phenylsulfanyl-5-propan-2-yloxy-heptan-3-one

Systemtic Name: 2,2-dimethyl-6-phenylsulfanyl-5-propan-2-yloxy-heptan-3-one Openeye Name: 5-isopropoxy-2,2-dimethyl-6-phenylsulfanyl-heptan-3-one CAS Name: 2,2-dimethyl-6-(phenylthio)-5-propan-2-yloxy-3-heptanone IUPAC Name: 2,2-dimethyl-6-phenylsulfanyl-5-propan-2-yloxyheptan-3-one Traditional Name: 5-isopropoxy-2,2-dimethyl-6-(phenylthio)heptan-3-one Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC(=O)C(C)(C)C)C(C)SC1=CC=CC=C1

Isomeric SMILES

CC(C)OC(CC(=O)C(C)(C)C)C(C)SC1=CC=CC=C1

InChI

InChI=1S/C18H28O2S/c1-13(2)20-16(12-17(19)18(4,5)6)14(3)21-15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3