ethyl 8-isocyano-2,2-dimethyl-8-(4-methylphenyl)sulfonyl-octanoate

Systemtic Name: ethyl 8-isocyano-2,2-dimethyl-8-(4-methylphenyl)sulfonyl-octanoate Openeye Name: ethyl 8-isocyano-2,2-dimethyl-8-(p-tolylsulfonyl)octanoate CAS Name: 8-isocyano-2,2-dimethyl-8-(4-methylphenyl)sulfonyloctanoic acid ethyl ester IUPAC Name: ethyl 8-isocyano-2,2-dimethyl-8-(4-methylphenyl)sulfonyloctanoate Traditional Name: 8-isocyano-2,2-dimethyl-8-tosyl-caprylic acid ethyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCCC([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCCC([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H29NO4S/c1-6-25-19(22)20(3,4)15-9-7-8-10-18(21-5)26(23,24)17-13-11-16(2)12-14-17/h11-14,18H,6-10,15H2,1-4H3