1-[(12Z,15Z)-3-isocyanohenicosa-12,15-dien-3-yl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(12Z,15Z)-3-isocyanohenicosa-12,15-dien-3-yl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(10Z,13Z)-1-ethyl-1-isocyano-nonadeca-10,13-dienyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(12Z,15Z)-3-isocyanoheneicosa-12,15-dien-3-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(12Z,15Z)-3-isocyanohenicosa-12,15-dien-3-yl]sulfonyl-4-methylbenzene Traditional Name: 1-[(10Z,13Z)-1-ethyl-1-isocyano-nonadeca-10,13-dienyl]sulfonyl-4-methyl-benzene Formula: C29H45NO2S MolecularWeight: 471.7381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCCC(CC)([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C29H45NO2S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29(6-2,30-4)33(31,32)28-24-22-27(3)23-25-28/h10-11,13-14,22-25H,5-9,12,15-21,26H2,1-3H3/b11-10-,14-13-