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

Systemtic Name: 8-isocyano-3,13-dimethyl-3,13-bis(4-methylphenyl)-8-(4-methylphenyl)sulfonyl-pentadecane-2,14-dione Openeye Name: 8-isocyano-3,13-dimethyl-3,13-bis(p-tolyl)-8-(p-tolylsulfonyl)pentadecane-2,14-dione CAS Name: 8-isocyano-3,13-dimethyl-3,13-bis(4-methylphenyl)-8-(4-methylphenyl)sulfonylpentadecane-2,14-dione IUPAC Name: 8-isocyano-3,13-dimethyl-3,13-bis(4-methylphenyl)-8-(4-methylphenyl)sulfonylpentadecane-2,14-dione Traditional Name: 8-isocyano-3,13-dimethyl-3,13-bis(p-tolyl)-8-tosyl-pentadecane-2,14-dione Formula: C39H49NO4S MolecularWeight: 627.87566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H49NO4S/c1-29-13-19-34(20-14-29)37(6,32(4)41)25-9-11-27-39(40-8,45(43,44)36-23-17-31(3)18-24-36)28-12-10-26-38(7,33(5)42)35-21-15-30(2)16-22-35/h13-24H,9-12,25-28H2,1-7H3