butoxycarbonyl-[4-[(Z)-2-carboxy-3-(4-nitrophenyl)prop-2-enoxy]phenyl]-methyl-octadecyl-azanium

Systemtic Name: butoxycarbonyl-[4-[(Z)-2-carboxy-3-(4-nitrophenyl)prop-2-enoxy]phenyl]-methyl-octadecyl-azanium Openeye Name: butoxycarbonyl-[4-[(Z)-2-carboxy-3-(4-nitrophenyl)allyloxy]phenyl]-methyl-octadecyl-ammonium CAS Name: [butoxy(oxo)methyl]-[4-[(Z)-2-carboxy-3-(4-nitrophenyl)prop-2-enoxy]phenyl]-methyl-octadecylammonium IUPAC Name: butoxycarbonyl-[4-[(Z)-2-carboxy-3-(4-nitrophenyl)prop-2-enoxy]phenyl]-methyl-octadecylazanium Traditional Name: butoxycarbonyl-[4-[(Z)-2-carboxy-3-(4-nitrophenyl)allyloxy]phenyl]-methyl-stearyl-ammonium Formula: C40H61N2O7+ MolecularWeight: 681.92154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C1=CC=C(C=C1)OCC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C1=CC=C(C=C1)OC/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)O)C(=O)OCCCC

InChI

InChI=1S/C40H60N2O7/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-42(3,40(45)48-31-7-5-2)37-26-28-38(29-27-37)49-33-35(39(43)44)32-34-22-24-36(25-23-34)41(46)47/h22-29,32H,4-21,30-31,33H2,1-3H3/p+1/b35-32-