6-isocyano-2,10-dimethyl-6-(4-methylphenyl)sulfonyl-2,10-diphenyl-undecanedioic acid

Systemtic Name: 6-isocyano-2,10-dimethyl-6-(4-methylphenyl)sulfonyl-2,10-diphenyl-undecanedioic acid Openeye Name: 6-isocyano-2,10-dimethyl-2,10-diphenyl-6-(p-tolylsulfonyl)undecanedioic acid CAS Name: 6-isocyano-2,10-dimethyl-6-(4-methylphenyl)sulfonyl-2,10-diphenylundecanedioic acid IUPAC Name: 6-isocyano-2,10-dimethyl-6-(4-methylphenyl)sulfonyl-2,10-diphenylundecanedioic acid Traditional Name: 6-isocyano-2,10-dimethyl-2,10-diphenyl-6-tosyl-undecanedioic acid Formula: C33H37NO6S MolecularWeight: 575.71498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC(C)(C2=CC=CC=C2)C(=O)O)(CCCC(C)(C3=CC=CC=C3)C(=O)O)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC(C)(C2=CC=CC=C2)C(=O)O)(CCCC(C)(C3=CC=CC=C3)C(=O)O)[N+]#[C-]

InChI

InChI=1S/C33H37NO6S/c1-25-17-19-28(20-18-25)41(39,40)33(34-4,23-11-21-31(2,29(35)36)26-13-7-5-8-14-26)24-12-22-32(3,30(37)38)27-15-9-6-10-16-27/h5-10,13-20H,11-12,21-24H2,1-3H3,(H,35,36)(H,37,38)