dodecane-1-thiol; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid

Systemtic Name: dodecane-1-thiol; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid Openeye Name: dodecane-1-thiol; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid CAS Name: 1-dodecanethiol; 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid methyl ester IUPAC Name: dodecane-1-thiol; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid Traditional Name: dodecane-1-thiol; methacrylic acid; 2-methylacrylic acid methyl ester Formula: C21H40O4S MolecularWeight: 388.6049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS.CC(=C)C(=O)O.CC(=C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCS.CC(=C)C(=O)O.CC(=C)C(=O)OC

InChI

InChI=1S/C12H26S.C5H8O2.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-4(2)5(6)7-3;1-3(2)4(5)6/h13H,2-12H2,1H3;1H2,2-3H3;1H2,2H3,(H,5,6)