4-heptadecylsulfanyl-3-methyl-butan-2-one

Systemtic Name: 4-heptadecylsulfanyl-3-methyl-butan-2-one Openeye Name: 4-heptadecylsulfanyl-3-methyl-butan-2-one CAS Name: 4-(heptadecylthio)-3-methyl-2-butanone IUPAC Name: 4-heptadecylsulfanyl-3-methylbutan-2-one Traditional Name: 4-(heptadecylthio)-3-methyl-butan-2-one Formula: C22H44OS MolecularWeight: 356.64916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSCC(C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCSCC(C)C(=O)C

InChI

InChI=1S/C22H44OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21(2)22(3)23/h21H,4-20H2,1-3H3