(13-azanyl-1-oxidanyl-1-oxidanylidene-tetracosan-12-yl)-(4-nitrophenyl)-oxidanylidene-azanium

Systemtic Name: (13-azanyl-1-oxidanyl-1-oxidanylidene-tetracosan-12-yl)-(4-nitrophenyl)-oxidanylidene-azanium Openeye Name: [2-amino-1-(11-hydroxy-11-oxo-undecyl)tridecyl]-(4-nitrophenyl)-oxo-ammonium CAS Name: (13-amino-1-hydroxy-1-oxotetracosan-12-yl)-(4-nitrophenyl)-oxoammonium IUPAC Name: (13-amino-1-hydroxy-1-oxotetracosan-12-yl)-(4-nitrophenyl)-oxoazanium Traditional Name: [2-amino-1-(11-hydroxy-11-keto-undecyl)tridecyl]-keto-(4-nitrophenyl)ammonium Formula: C30H52N3O5+ MolecularWeight: 534.75098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCCCCCCCCCC(=O)O)[N+](=O)C1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

CCCCCCCCCCCC(C(CCCCCCCCCCC(=O)O)[N+](=O)C1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C30H51N3O5/c1-2-3-4-5-6-7-10-13-16-19-28(31)29(32(36)26-22-24-27(25-23-26)33(37)38)20-17-14-11-8-9-12-15-18-21-30(34)35/h22-25,28-29H,2-21,31H2,1H3/p+1