(1-octoxy-1-oxidanylidene-heptan-2-yl)azanium; N-(1-octoxy-1-oxidanylidene-heptan-2-yl)carbamate

Systemtic Name: (1-octoxy-1-oxidanylidene-heptan-2-yl)azanium; N-(1-octoxy-1-oxidanylidene-heptan-2-yl)carbamate Openeye Name: 1-octoxycarbonylhexylammonium; N-(1-octoxycarbonylhexyl)carbamate CAS Name: (1-octoxy-1-oxoheptan-2-yl)ammonium; N-(1-octoxy-1-oxoheptan-2-yl)carbamate IUPAC Name: (1-octoxy-1-oxoheptan-2-yl)azanium; N-(1-octoxy-1-oxoheptan-2-yl)carbamate Traditional Name: 1-octoxycarbonylhexylammonium; N-(1-octoxycarbonylhexyl)carbamate Formula: C31H62N2O6 MolecularWeight: 558.83378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCCCC)[NH3+].CCCCCCCCOC(=O)C(CCCCC)NC(=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C(CCCCC)[NH3+].CCCCCCCCOC(=O)C(CCCCC)NC(=O)[O-]

InChI

InChI=1S/C16H31NO4.C15H31NO2/c1-3-5-7-8-9-11-13-21-15(18)14(17-16(19)20)12-10-6-4-2;1-3-5-7-8-9-11-13-18-15(17)14(16)12-10-6-4-2/h14,17H,3-13H2,1-2H3,(H,19,20);14H,3-13,16H2,1-2H3