2-[1,6-bis(azaniumyl)hexyl]decanedioate; decanoate

Systemtic Name: 2-[1,6-bis(azaniumyl)hexyl]decanedioate; decanoate Openeye Name: 2-[1,6-bis(azaniumyl)hexyl]decanedioate; decanoate CAS Name: decanoate; 2-(1,6-diammoniohexyl)decanedioate IUPAC Name: 2-[1,6-bis(azaniumyl)hexyl]decanedioate; decanoate Traditional Name: caprate; 2-(1,6-diammoniohexyl)sebacate Formula: C36H70N2O8-2 MolecularWeight: 658.9496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].C(CCCC(C(CCCCC[NH3+])[NH3+])C(=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].C(CCCC(C(CCCCC[NH3+])[NH3+])C(=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C16H32N2O4.2C10H20O2/c17-12-8-4-6-10-14(18)13(16(21)22)9-5-2-1-3-7-11-15(19)20;2*1-2-3-4-5-6-7-8-9-10(11)12/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22);2*2-9H2,1H3,(H,11,12)/p-2