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

Systemtic Name: diethyl 6-isocyano-2,10-dimethyl-6-(4-methylphenyl)sulfonyl-2,10-diphenyl-undecanedioate Openeye Name: diethyl 6-isocyano-2,10-dimethyl-2,10-diphenyl-6-(p-tolylsulfonyl)undecanedioate CAS Name: 6-isocyano-2,10-dimethyl-6-(4-methylphenyl)sulfonyl-2,10-diphenylundecanedioic acid diethyl ester IUPAC Name: diethyl 6-isocyano-2,10-dimethyl-6-(4-methylphenyl)sulfonyl-2,10-diphenylundecanedioate Traditional Name: 6-isocyano-2,10-dimethyl-2,10-diphenyl-6-tosyl-undecanedioic acid diethyl ester Formula: C37H45NO6S MolecularWeight: 631.8213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCC(CCCC(C)(C1=CC=CC=C1)C(=O)OCC)([N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)(CCCC(CCCC(C)(C1=CC=CC=C1)C(=O)OCC)([N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C37H45NO6S/c1-7-43-33(39)35(4,30-17-11-9-12-18-30)25-15-27-37(38-6,45(41,42)32-23-21-29(3)22-24-32)28-16-26-36(5,34(40)44-8-2)31-19-13-10-14-20-31/h9-14,17-24H,7-8,15-16,25-28H2,1-5H3