butanedioic acid; 2-ethylhexan-1-ol; hexanedioic acid; 8-methylnonan-1-ol; pentanedioic acid

Systemtic Name: butanedioic acid; 2-ethylhexan-1-ol; hexanedioic acid; 8-methylnonan-1-ol; pentanedioic acid Openeye Name: adipic acid; 2-ethylhexan-1-ol; glutaric acid; 8-methylnonan-1-ol; succinic acid CAS Name: butanedioic acid; 2-ethyl-1-hexanol; hexanedioic acid; 8-methyl-1-nonanol; pentanedioic acid IUPAC Name: butanedioic acid; 2-ethylhexan-1-ol; hexanedioic acid; 8-methylnonan-1-ol; pentanedioic acid Traditional Name: adipic acid; 2-ethylhexan-1-ol; glutaric acid; 8-methylnonan-1-ol; succinic acid Formula: C33H64O14 MolecularWeight: 684.85286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H22O.C8H18O.C6H10O4.C5H8O4.C4H6O4/c1-10(2)8-6-4-3-5-7-9-11;1-3-5-6-8(4-2)7-9;7-5(8)3-1-2-4-6(9)10;6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8/h10-11H,3-9H2,1-2H3;8-9H,3-7H2,1-2H3;1-4H2,(H,7,8)(H,9,10);1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8)