azepan-2-one; butane-1,4-diol; hexanedioic acid

Systemtic Name: azepan-2-one; butane-1,4-diol; hexanedioic acid Openeye Name: adipic acid; azepan-2-one; butane-1,4-diol CAS Name: 2-azepanone; butane-1,4-diol; hexanedioic acid IUPAC Name: azepan-2-one; butane-1,4-diol; hexanedioic acid Traditional Name: adipic acid; azepan-2-one; butane-1,4-diol Formula: C16H31NO7 MolecularWeight: 349.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C(CCC(=O)O)CC(=O)O.C(CCO)CO

Isomeric SMILES

C1CCC(=O)NCC1.C(CCC(=O)O)CC(=O)O.C(CCO)CO

InChI

InChI=1S/C6H11NO.C6H10O4.C4H10O2/c8-6-4-2-1-3-5-7-6;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h1-5H2,(H,7,8);1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2