1-[(5R,9R)-7-isocyano-5,9-dimethyl-octadec-17-en-7-yl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(5R,9R)-7-isocyano-5,9-dimethyl-octadec-17-en-7-yl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(3R)-1-isocyano-3-methyl-1-[(2R)-2-methylhexyl]dodec-11-enyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(5R,9R)-7-isocyano-5,9-dimethyloctadec-17-en-7-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(5R,9R)-7-isocyano-5,9-dimethyloctadec-17-en-7-yl]sulfonyl-4-methylbenzene Traditional Name: 1-[(3R)-1-isocyano-3-methyl-1-[(2R)-2-methylhexyl]dodec-11-enyl]sulfonyl-4-methyl-benzene Formula: C28H45NO2S MolecularWeight: 459.7274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(CC(C)CCCCCCCC=C)([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC[C@@H](C)CC(C[C@H](C)CCCCCCCC=C)([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C28H45NO2S/c1-7-9-11-12-13-14-15-17-26(5)23-28(29-6,22-25(4)16-10-8-2)32(30,31)27-20-18-24(3)19-21-27/h7,18-21,25-26H,1,8-17,22-23H2,2-5H3/t25-,26-,28?/m1/s1