1-(3-oxidanidylbenzotriazol-3-ium-1-yl)-3-oxidanyl-2-(phenylmethyl)hexadecan-1-one

Systemtic Name: 1-(3-oxidanidylbenzotriazol-3-ium-1-yl)-3-oxidanyl-2-(phenylmethyl)hexadecan-1-one Openeye Name: 2-benzyl-3-hydroxy-1-(3-oxidobenzotriazol-3-ium-1-yl)hexadecan-1-one CAS Name: 3-hydroxy-1-(3-oxido-1-benzotriazol-3-iumyl)-2-(phenylmethyl)-1-hexadecanone IUPAC Name: 2-benzyl-3-hydroxy-1-(3-oxidobenzotriazol-3-ium-1-yl)hexadecan-1-one Traditional Name: 2-benzyl-3-hydroxy-1-(3-oxidobenzotriazol-3-ium-1-yl)hexadecan-1-one Formula: C29H41N3O3 MolecularWeight: 479.65414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(CC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCC(C(CC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-])O

InChI

InChI=1S/C29H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-15-22-28(33)25(23-24-18-13-12-14-19-24)29(34)31-26-20-16-17-21-27(26)32(35)30-31/h12-14,16-21,25,28,33H,2-11,15,22-23H2,1H3