1-azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid

Systemtic Name: 1-azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid Openeye Name: adipic acid; azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine CAS Name: azacyclotetradecan-2-one; 2-azepanone; hexane-1,6-diamine; hexanedioic acid IUPAC Name: azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid Traditional Name: adipic acid; 6-aminohexylamine; azacyclotetradecan-2-one; azepan-2-one Formula: C31H62N4O6 MolecularWeight: 586.84718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCNC(=O)CCCCC1.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1CCCCCCNC(=O)CCCCC1.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C13H25NO.C6H16N2.C6H11NO.C6H10O4/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-13;7-5-3-1-2-4-6-8;8-6-4-2-1-3-5-7-6;7-5(8)3-1-2-4-6(9)10/h1-12H2,(H,14,15);1-8H2;1-5H2,(H,7,8);1-4H2,(H,7,8)(H,9,10)