hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol; oxepan-2-one

Systemtic Name: hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol; oxepan-2-one Openeye Name: adipic acid; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one CAS Name: hexanedioic acid; 2-(2-hydroxyethoxy)ethanol; 2-oxepanone IUPAC Name: hexanedioic acid; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one Traditional Name: adipic acid; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one Formula: C16H30O9 MolecularWeight: 366.404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)OCC1.C(CCC(=O)O)CC(=O)O.C(COCCO)O

Isomeric SMILES

C1CCC(=O)OCC1.C(CCC(=O)O)CC(=O)O.C(COCCO)O

InChI

InChI=1S/C6H10O4.C6H10O2.C4H10O3/c7-5(8)3-1-2-4-6(9)10;7-6-4-2-1-3-5-8-6;5-1-3-7-4-2-6/h1-4H2,(H,7,8)(H,9,10);1-5H2;5-6H,1-4H2