(1,2-ditert-butyl-6-chloranyl-6-phenyl-benzotriazol-2-ium-2-yl) octanoate

Systemtic Name: (1,2-ditert-butyl-6-chloranyl-6-phenyl-benzotriazol-2-ium-2-yl) octanoate Openeye Name: (1,2-ditert-butyl-6-chloro-6-phenyl-benzotriazol-2-ium-2-yl) octanoate CAS Name: octanoic acid (1,2-ditert-butyl-6-chloro-6-phenyl-2-benzotriazol-2-iumyl) ester IUPAC Name: (1,2-ditert-butyl-6-chloro-6-phenylbenzotriazol-2-ium-2-yl) octanoate Traditional Name: caprylic acid (1,2-ditert-butyl-6-chloro-6-phenyl-benzotriazol-2-ium-2-yl) ester Formula: C28H41ClN3O2+ MolecularWeight: 487.09704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O[N+]1(N=C2C=CC(C=C2N1C(C)(C)C)(C3=CC=CC=C3)Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)O[N+]1(N=C2C=CC(C=C2N1C(C)(C)C)(C3=CC=CC=C3)Cl)C(C)(C)C

InChI

InChI=1S/C28H41ClN3O2/c1-8-9-10-11-15-18-25(33)34-32(27(5,6)7)30-23-19-20-28(29,22-16-13-12-14-17-22)21-24(23)31(32)26(2,3)4/h12-14,16-17,19-21H,8-11,15,18H2,1-7H3/q+1