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

Systemtic Name: 2-methyl-1-(4-methyl-5-tridecyl-thiophen-2-yl)hexadecan-1-one Openeye Name: 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)hexadecan-1-one CAS Name: 2-methyl-1-(4-methyl-5-tridecyl-2-thiophenyl)-1-hexadecanone IUPAC Name: 2-methyl-1-(4-methyl-5-tridecylthiophen-2-yl)hexadecan-1-one Traditional Name: 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)hexadecan-1-one Formula: C35H64OS MolecularWeight: 532.94706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)C(=O)C1=CC(=C(S1)CCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCC(C)C(=O)C1=CC(=C(S1)CCCCCCCCCCCCC)C

InChI

InChI=1S/C35H64OS/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-31(3)35(36)34-30-32(4)33(37-34)29-27-25-23-21-18-16-14-12-10-8-6-2/h30-31H,5-29H2,1-4H3