1-nitro-4-[[(6Z)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxymethyl]benzene

Systemtic Name: 1-nitro-4-[[(6Z)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxymethyl]benzene Openeye Name: 1-[[(4Z)-1-ethynyl-1,5,9-trimethyl-deca-4,8-dienoxy]methyl]-4-nitro-benzene CAS Name: 1-nitro-4-[[(6Z)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxymethyl]benzene IUPAC Name: 1-nitro-4-[[(6Z)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl]oxymethyl]benzene Traditional Name: 1-[[(4Z)-1-ethynyl-1,5,9-trimethyl-deca-4,8-dienoxy]methyl]-4-nitro-benzene Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(C)(C#C)OCC1=CC=C(C=C1)[N+](=O)[O-])C)C

Isomeric SMILES

CC(=CCC/C(=C\CCC(C)(C#C)OCC1=CC=C(C=C1)[N+](=O)[O-])/C)C

InChI

InChI=1S/C22H29NO3/c1-6-22(5,16-8-11-19(4)10-7-9-18(2)3)26-17-20-12-14-21(15-13-20)23(24)25/h1,9,11-15H,7-8,10,16-17H2,2-5H3/b19-11-