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

Systemtic Name: azepan-2-one; decanedioic acid; hexane-1,6-diamine; hexanedioic acid Openeye Name: adipic acid; azepan-2-one; decanedioic acid; hexane-1,6-diamine CAS Name: 2-azepanone; decanedioic acid; hexane-1,6-diamine; hexanedioic acid IUPAC Name: azepan-2-one; decanedioic acid; hexane-1,6-diamine; hexanedioic acid Traditional Name: adipic acid; 6-aminohexylamine; azepan-2-one; sebacic acid Formula: C28H55N3O9 MolecularWeight: 577.751

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C(CCCCC(=O)O)CCCC(=O)O.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1CCC(=O)NCC1.C(CCCCC(=O)O)CCCC(=O)O.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C10H18O4.C6H16N2.C6H11NO.C6H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;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/h1-8H2,(H,11,12)(H,13,14);1-8H2;1-5H2,(H,7,8);1-4H2,(H,7,8)(H,9,10)