8-isocyano-3,13-dimethyl-8-(4-methylphenyl)sulfonyl-3,13-bis[4-(2-methylpropyl)phenyl]pentadecane-2,14-dione

Systemtic Name: 8-isocyano-3,13-dimethyl-8-(4-methylphenyl)sulfonyl-3,13-bis[4-(2-methylpropyl)phenyl]pentadecane-2,14-dione Openeye Name: 3,13-bis(4-isobutylphenyl)-8-isocyano-3,13-dimethyl-8-(p-tolylsulfonyl)pentadecane-2,14-dione CAS Name: 8-isocyano-3,13-dimethyl-8-(4-methylphenyl)sulfonyl-3,13-bis[4-(2-methylpropyl)phenyl]pentadecane-2,14-dione IUPAC Name: 8-isocyano-3,13-dimethyl-8-(4-methylphenyl)sulfonyl-3,13-bis[4-(2-methylpropyl)phenyl]pentadecane-2,14-dione Traditional Name: 3,13-bis(4-isobutylphenyl)-8-isocyano-3,13-dimethyl-8-tosyl-pentadecane-2,14-dione Formula: C45H61NO4S MolecularWeight: 712.03514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H61NO4S/c1-33(2)31-38-17-21-40(22-18-38)43(8,36(6)47)27-11-13-29-45(46-10,51(49,50)42-25-15-35(5)16-26-42)30-14-12-28-44(9,37(7)48)41-23-19-39(20-24-41)32-34(3)4/h15-26,33-34H,11-14,27-32H2,1-9H3