decanedioic acid; ethane-1,2-diamine; octadecanoic acid

Systemtic Name: decanedioic acid; ethane-1,2-diamine; octadecanoic acid Openeye Name: decanedioic acid; ethane-1,2-diamine; stearic acid CAS Name: decanedioic acid; ethane-1,2-diamine; octadecanoic acid IUPAC Name: decanedioic acid; ethane-1,2-diamine; octadecanoic acid Traditional Name: 2-aminoethylamine; sebacic acid; stearic acid Formula: C30H62N2O6 MolecularWeight: 546.82308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.C(CCCCC(=O)O)CCCC(=O)O.C(CN)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.C(CCCCC(=O)O)CCCC(=O)O.C(CN)N

InChI

InChI=1S/C18H36O2.C10H18O4.C2H8N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-9(12)7-5-3-1-2-4-6-8-10(13)14;3-1-2-4/h2-17H2,1H3,(H,19,20);1-8H2,(H,11,12)(H,13,14);1-4H2