4-hexylsulfanyl-1-phenyl-butane-1,3-dione

Systemtic Name: 4-hexylsulfanyl-1-phenyl-butane-1,3-dione Openeye Name: 4-hexylsulfanyl-1-phenyl-butane-1,3-dione CAS Name: 4-(hexylthio)-1-phenylbutane-1,3-dione IUPAC Name: 4-hexylsulfanyl-1-phenylbutane-1,3-dione Traditional Name: 4-(hexylthio)-1-phenyl-butane-1,3-dione Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(=O)CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCSCC(=O)CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22O2S/c1-2-3-4-8-11-19-13-15(17)12-16(18)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3