(1E,28E)-13-[(E)-8-azanyloct-2-enyl]-13-nonyl-nonacosa-1,28-diene-1,29-diamine

Systemtic Name: (1E,28E)-13-[(E)-8-azanyloct-2-enyl]-13-nonyl-nonacosa-1,28-diene-1,29-diamine Openeye Name: (1E,28E)-13-[(E)-8-aminooct-2-enyl]-13-nonyl-nonacosa-1,28-diene-1,29-diamine CAS Name: (1E,28E)-13-[(E)-8-aminooct-2-enyl]-13-nonylnonacosa-1,28-diene-1,29-diamine IUPAC Name: (1E,28E)-13-[(E)-8-aminooct-2-enyl]-13-nonylnonacosa-1,28-diene-1,29-diamine Traditional Name: [(6E,24E)-25-amino-9-[(E)-12-aminododec-11-enyl]-9-nonyl-pentacosa-6,24-dienyl]amine Formula: C46H91N3 MolecularWeight: 686.23484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCCCCCCCC=CN)(CCCCCCCCCCC=CN)CC=CCCCCCN

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCCCCCCC/C=C/N)(CCCCCCCCCC/C=C/N)C/C=C/CCCCCN

InChI

InChI=1S/C46H91N3/c1-2-3-4-5-18-25-32-39-46(42-35-28-21-24-31-38-45-49,41-34-27-20-15-11-13-17-23-30-37-44-48)40-33-26-19-14-10-8-6-7-9-12-16-22-29-36-43-47/h28,35-37,43-44H,2-27,29-34,38-42,45,47-49H2,1H3/b35-28+,43-36+,44-37+