1,3,5-tris[2-isocyano-2-(4-methylphenyl)sulfonyl-ethyl]-2,4,6-trimethyl-benzene

Systemtic Name: 1,3,5-tris[2-isocyano-2-(4-methylphenyl)sulfonyl-ethyl]-2,4,6-trimethyl-benzene Openeye Name: 1,3,5-tris[2-isocyano-2-(p-tolylsulfonyl)ethyl]-2,4,6-trimethyl-benzene CAS Name: 1,3,5-tris[2-isocyano-2-(4-methylphenyl)sulfonylethyl]-2,4,6-trimethylbenzene IUPAC Name: 1,3,5-tris[2-isocyano-2-(4-methylphenyl)sulfonylethyl]-2,4,6-trimethylbenzene Traditional Name: 1,3,5-tris(2-isocyano-2-tosyl-ethyl)-2,4,6-trimethyl-benzene Formula: C39H39N3O6S3 MolecularWeight: 741.93846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=C(C(=C(C(=C2C)CC([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C)C)CC([N+]#[C-])S(=O)(=O)C4=CC=C(C=C4)C)C)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=C(C(=C(C(=C2C)CC([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C)C)CC([N+]#[C-])S(=O)(=O)C4=CC=C(C=C4)C)C)[N+]#[C-]

InChI

InChI=1S/C39H39N3O6S3/c1-25-10-16-31(17-11-25)49(43,44)37(40-7)22-34-28(4)35(23-38(41-8)50(45,46)32-18-12-26(2)13-19-32)30(6)36(29(34)5)24-39(42-9)51(47,48)33-20-14-27(3)15-21-33/h10-21,37-39H,22-24H2,1-6H3