3,3,4,4,5,5,6,6,7,7-decadeuterio-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)azepan-2-one

Systemtic Name: 3,3,4,4,5,5,6,6,7,7-decadeuterio-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)azepan-2-one Openeye Name: 3,3,4,4,5,5,6,6,7,7-decadeuterio-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)azepan-2-one CAS Name: 3,3,4,4,5,5,6,6,7,7-decadeuterio-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)-2-azepanone IUPAC Name: 3,3,4,4,5,5,6,6,7,7-decadeuterio-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)azepan-2-one Traditional Name: 3,3,4,4,5,5,6,6,7,7-decadeuterio-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)azepan-2-one Formula: C18H35NO MolecularWeight: 316.692262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CCCCCC1=O

Isomeric SMILES

[2H]C1(C(=O)N(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])[2H]

InChI

InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2