decanedioic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; octadecanoic acid

Systemtic Name: decanedioic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; octadecanoic acid Openeye Name: adipic acid; decanedioic acid; 2,2-dimethylpropane-1,3-diol; stearic acid CAS Name: decanedioic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; octadecanoic acid IUPAC Name: decanedioic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; octadecanoic acid Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; sebacic acid; stearic acid Formula: C39H76O12 MolecularWeight: 737.01354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CC(C)(CO)CO.C(CCCCC(=O)O)CCCC(=O)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CC(C)(CO)CO.C(CCCCC(=O)O)CCCC(=O)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C18H36O2.C10H18O4.C6H10O4.C5H12O2/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;7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7/h2-17H2,1H3,(H,19,20);1-8H2,(H,11,12)(H,13,14);1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3