butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 8-methylnonan-1-ol

Systemtic Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 8-methylnonan-1-ol Openeye Name: adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; 8-methylnonan-1-ol CAS Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 8-methyl-1-nonanol IUPAC Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 8-methylnonan-1-ol Traditional Name: adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; 8-methylnonan-1-ol Formula: C25H54O9 MolecularWeight: 498.69086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCO.CC(C)(CO)CO.C(CCC(=O)O)CC(=O)O.C(CCO)CO

Isomeric SMILES

CC(C)CCCCCCCO.CC(C)(CO)CO.C(CCC(=O)O)CC(=O)O.C(CCO)CO

InChI

InChI=1S/C10H22O.C6H10O4.C5H12O2.C4H10O2/c1-10(2)8-6-4-3-5-7-9-11;7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7;5-3-1-2-4-6/h10-11H,3-9H2,1-2H3;1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;5-6H,1-4H2