1-[(10Z,13Z,16Z)-1-isocyanononadeca-10,13,16-trienyl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(10Z,13Z,16Z)-1-isocyanononadeca-10,13,16-trienyl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(10Z,13Z,16Z)-1-isocyanononadeca-10,13,16-trienyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(10Z,13Z,16Z)-1-isocyanononadeca-10,13,16-trienyl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(10Z,13Z,16Z)-1-isocyanononadeca-10,13,16-trienyl]sulfonyl-4-methylbenzene Traditional Name: 1-[(10Z,13Z,16Z)-1-isocyanononadeca-10,13,16-trienyl]sulfonyl-4-methyl-benzene Formula: C27H39NO2S MolecularWeight: 441.66906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(28-3)31(29,30)26-23-21-25(2)22-24-26/h5-6,8-9,11-12,21-24,27H,4,7,10,13-20H2,1-2H3/b6-5-,9-8-,12-11-