diethyl 6-isocyano-2,2,10,10-tetramethyl-6-(4-methylphenyl)sulfonyl-undecanedioate

Systemtic Name: diethyl 6-isocyano-2,2,10,10-tetramethyl-6-(4-methylphenyl)sulfonyl-undecanedioate Openeye Name: diethyl 6-isocyano-2,2,10,10-tetramethyl-6-(p-tolylsulfonyl)undecanedioate CAS Name: 6-isocyano-2,2,10,10-tetramethyl-6-(4-methylphenyl)sulfonylundecanedioic acid diethyl ester IUPAC Name: diethyl 6-isocyano-2,2,10,10-tetramethyl-6-(4-methylphenyl)sulfonylundecanedioate Traditional Name: 6-isocyano-2,2,10,10-tetramethyl-6-tosyl-undecanedioic acid diethyl ester Formula: C27H41NO6S MolecularWeight: 507.68254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO6S/c1-9-33-23(29)25(4,5)17-11-19-27(28-8,20-12-18-26(6,7)24(30)34-10-2)35(31,32)22-15-13-21(3)14-16-22/h13-16H,9-12,17-20H2,1-7H3