diethyl 7-isocyano-2,2,12,12-tetramethyl-7-(4-methylphenyl)sulfonyl-tridecanedioate

Systemtic Name: diethyl 7-isocyano-2,2,12,12-tetramethyl-7-(4-methylphenyl)sulfonyl-tridecanedioate Openeye Name: diethyl 7-isocyano-2,2,12,12-tetramethyl-7-(p-tolylsulfonyl)tridecanedioate CAS Name: 7-isocyano-2,2,12,12-tetramethyl-7-(4-methylphenyl)sulfonyltridecanedioic acid diethyl ester IUPAC Name: diethyl 7-isocyano-2,2,12,12-tetramethyl-7-(4-methylphenyl)sulfonyltridecanedioate Traditional Name: 7-isocyano-2,2,12,12-tetramethyl-7-tosyl-brassylic acid diethyl ester Formula: C29H45NO6S MolecularWeight: 535.7357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO6S/c1-9-35-25(31)27(4,5)19-11-13-21-29(30-8,37(33,34)24-17-15-23(3)16-18-24)22-14-12-20-28(6,7)26(32)36-10-2/h15-18H,9-14,19-22H2,1-7H3