4-(4-chloranylbutoxy)-5-methyl-5-octyl-thiophen-2-one

Systemtic Name: 4-(4-chloranylbutoxy)-5-methyl-5-octyl-thiophen-2-one Openeye Name: 4-(4-chlorobutoxy)-5-methyl-5-octyl-thiophen-2-one CAS Name: 4-(4-chlorobutoxy)-5-methyl-5-octyl-2-thiophenone IUPAC Name: 4-(4-chlorobutoxy)-5-methyl-5-octylthiophen-2-one Traditional Name: 4-(4-chlorobutoxy)-5-methyl-5-octyl-thiophen-2-one Formula: C17H29ClO2S MolecularWeight: 332.92896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=CC(=O)S1)OCCCCCl)C

Isomeric SMILES

CCCCCCCCC1(C(=CC(=O)S1)OCCCCCl)C

InChI

InChI=1S/C17H29ClO2S/c1-3-4-5-6-7-8-11-17(2)15(14-16(19)21-17)20-13-10-9-12-18/h14H,3-13H2,1-2H3