2-methyl-1-(4-methyl-5-tridecyl-thiophen-2-yl)hexan-1-one

Systemtic Name: 2-methyl-1-(4-methyl-5-tridecyl-thiophen-2-yl)hexan-1-one Openeye Name: 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)hexan-1-one CAS Name: 2-methyl-1-(4-methyl-5-tridecyl-2-thiophenyl)-1-hexanone IUPAC Name: 2-methyl-1-(4-methyl-5-tridecylthiophen-2-yl)hexan-1-one Traditional Name: 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)hexan-1-one Formula: C25H44OS MolecularWeight: 392.68126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C=C(S1)C(=O)C(C)CCCC)C

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C=C(S1)C(=O)C(C)CCCC)C

InChI

InChI=1S/C25H44OS/c1-5-7-9-10-11-12-13-14-15-16-17-19-23-22(4)20-24(27-23)25(26)21(3)18-8-6-2/h20-21H,5-19H2,1-4H3