butanedioic acid; hexanedioic acid; pentanedioic acid; 3,5,5-trimethylhexan-1-ol

Systemtic Name: butanedioic acid; hexanedioic acid; pentanedioic acid; 3,5,5-trimethylhexan-1-ol Openeye Name: adipic acid; glutaric acid; succinic acid; 3,5,5-trimethylhexan-1-ol CAS Name: butanedioic acid; hexanedioic acid; pentanedioic acid; 3,5,5-trimethyl-1-hexanol IUPAC Name: butanedioic acid; hexanedioic acid; pentanedioic acid; 3,5,5-trimethylhexan-1-ol Traditional Name: adipic acid; glutaric acid; succinic acid; 3,5,5-trimethylhexan-1-ol Formula: C24H44O13 MolecularWeight: 540.59836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20O.C6H10O4.C5H8O4.C4H6O4/c1-8(5-6-10)7-9(2,3)4;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/h8,10H,5-7H2,1-4H3;1-4H2,(H,7,8)(H,9,10);1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8)