dodecane-1-thiol; ethenylbenzene; 2-isocyanatoethyl 2-methylprop-2-enoate

Systemtic Name: dodecane-1-thiol; ethenylbenzene; 2-isocyanatoethyl 2-methylprop-2-enoate Openeye Name: dodecane-1-thiol; 2-isocyanatoethyl 2-methylprop-2-enoate; styrene CAS Name: 1-dodecanethiol; 2-methyl-2-propenoic acid 2-isocyanatoethyl ester; styrene IUPAC Name: dodecane-1-thiol; 2-isocyanatoethyl 2-methylprop-2-enoate; styrene Traditional Name: dodecane-1-thiol; 2-methylacrylic acid 2-isocyanatoethyl ester; styrene Formula: C27H43NO3S MolecularWeight: 461.70022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS.CC(=C)C(=O)OCCN=C=O.C=CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCS.CC(=C)C(=O)OCCN=C=O.C=CC1=CC=CC=C1

InChI

InChI=1S/C12H26S.C8H8.C7H9NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-8-6-4-3-5-7-8;1-6(2)7(10)11-4-3-8-5-9/h13H,2-12H2,1H3;2-7H,1H2;1,3-4H2,2H3