2,2-bis(hydroxymethyl)butyl heptanoate; hexanedioic acid

Systemtic Name: 2,2-bis(hydroxymethyl)butyl heptanoate; hexanedioic acid Openeye Name: adipic acid; 2,2-bis(hydroxymethyl)butyl heptanoate CAS Name: heptanoic acid 2,2-bis(hydroxymethyl)butyl ester; hexanedioic acid IUPAC Name: 2,2-bis(hydroxymethyl)butyl heptanoate; hexanedioic acid Traditional Name: adipic acid; enanthic acid 2,2-dimethylolbutyl ester Formula: C19H36O8 MolecularWeight: 392.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(CC)(CO)CO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCC(=O)OCC(CC)(CO)CO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C13H26O4.C6H10O4/c1-3-5-6-7-8-12(16)17-11-13(4-2,9-14)10-15;7-5(8)3-1-2-4-6(9)10/h14-15H,3-11H2,1-2H3;1-4H2,(H,7,8)(H,9,10)