diethyl 9-isocyano-2,2,16,16-tetramethyl-9-(4-methylphenyl)sulfonyl-heptadecanedioate

Systemtic Name: diethyl 9-isocyano-2,2,16,16-tetramethyl-9-(4-methylphenyl)sulfonyl-heptadecanedioate Openeye Name: diethyl 9-isocyano-2,2,16,16-tetramethyl-9-(p-tolylsulfonyl)heptadecanedioate CAS Name: 9-isocyano-2,2,16,16-tetramethyl-9-(4-methylphenyl)sulfonylheptadecanedioic acid diethyl ester IUPAC Name: diethyl 9-isocyano-2,2,16,16-tetramethyl-9-(4-methylphenyl)sulfonylheptadecanedioate Traditional Name: 9-isocyano-2,2,16,16-tetramethyl-9-tosyl-heptadecanedioic acid diethyl ester Formula: C33H53NO6S MolecularWeight: 591.84202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H53NO6S/c1-9-39-29(35)31(4,5)23-15-11-13-17-25-33(34-8,41(37,38)28-21-19-27(3)20-22-28)26-18-14-12-16-24-32(6,7)30(36)40-10-2/h19-22H,9-18,23-26H2,1-7H3