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

Systemtic Name: diethyl 7-isocyano-2,12-dimethyl-7-(4-methylphenyl)sulfonyl-2,12-diphenyl-tridecanedioate Openeye Name: diethyl 7-isocyano-2,12-dimethyl-2,12-diphenyl-7-(p-tolylsulfonyl)tridecanedioate CAS Name: 7-isocyano-2,12-dimethyl-7-(4-methylphenyl)sulfonyl-2,12-diphenyltridecanedioic acid diethyl ester IUPAC Name: diethyl 7-isocyano-2,12-dimethyl-7-(4-methylphenyl)sulfonyl-2,12-diphenyltridecanedioate Traditional Name: 7-isocyano-2,12-dimethyl-2,12-diphenyl-7-tosyl-brassylic acid diethyl ester Formula: C39H49NO6S MolecularWeight: 659.87446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCCC(CCCCC(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)(CCCCC(CCCCC(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/C39H49NO6S/c1-7-45-35(41)37(4,32-19-11-9-12-20-32)27-15-17-29-39(40-6,47(43,44)34-25-23-31(3)24-26-34)30-18-16-28-38(5,36(42)46-8-2)33-21-13-10-14-22-33/h9-14,19-26H,7-8,15-18,27-30H2,1-5H3