4-[6-(2-chloranyl-4-methylsulfanyl-phenoxy)hexyl]heptane-3,5-dione

Systemtic Name: 4-[6-(2-chloranyl-4-methylsulfanyl-phenoxy)hexyl]heptane-3,5-dione Openeye Name: 4-[6-(2-chloro-4-methylsulfanyl-phenoxy)hexyl]heptane-3,5-dione CAS Name: 4-[6-[2-chloro-4-(methylthio)phenoxy]hexyl]heptane-3,5-dione IUPAC Name: 4-[6-(2-chloro-4-methylsulfanylphenoxy)hexyl]heptane-3,5-dione Traditional Name: 4-[6-[2-chloro-4-(methylthio)phenoxy]hexyl]heptane-3,5-dione Formula: C20H29ClO3S MolecularWeight: 384.96046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)SC)Cl)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)SC)Cl)C(=O)CC

InChI

InChI=1S/C20H29ClO3S/c1-4-18(22)16(19(23)5-2)10-8-6-7-9-13-24-20-12-11-15(25-3)14-17(20)21/h11-12,14,16H,4-10,13H2,1-3H3