hexanedioic acid; octadecan-1-amine

Systemtic Name: hexanedioic acid; octadecan-1-amine Openeye Name: adipic acid; octadecan-1-amine CAS Name: hexanedioic acid; 1-octadecanamine IUPAC Name: hexanedioic acid; octadecan-1-amine Traditional Name: adipic acid; stearylamine Formula: C42H88N2O4 MolecularWeight: 685.15912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCCCN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCCCN.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/2C18H39N.C6H10O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-5(8)3-1-2-4-6(9)10/h2*2-19H2,1H3;1-4H2,(H,7,8)(H,9,10)