1-(11-isocyanohenicosan-11-ylsulfonyl)-4-methyl-benzene

Systemtic Name: 1-(11-isocyanohenicosan-11-ylsulfonyl)-4-methyl-benzene Openeye Name: 1-(1-decyl-1-isocyano-undecyl)sulfonyl-4-methyl-benzene CAS Name: 1-(11-isocyanoheneicosan-11-ylsulfonyl)-4-methylbenzene IUPAC Name: 1-(11-isocyanohenicosan-11-ylsulfonyl)-4-methylbenzene Traditional Name: 1-(1-decyl-1-isocyano-undecyl)sulfonyl-4-methyl-benzene Formula: C29H49NO2S MolecularWeight: 475.76986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCC)([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCC)([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C29H49NO2S/c1-5-7-9-11-13-15-17-19-25-29(30-4,26-20-18-16-14-12-10-8-6-2)33(31,32)28-23-21-27(3)22-24-28/h21-24H,5-20,25-26H2,1-3H3