6-(benzotriazol-2-yl)-2-tert-butyl-3-ethyl-phenol; 3-propyloxepan-2-one

Systemtic Name: 6-(benzotriazol-2-yl)-2-tert-butyl-3-ethyl-phenol; 3-propyloxepan-2-one Openeye Name: 6-(benzotriazol-2-yl)-2-tert-butyl-3-ethyl-phenol; 3-propyloxepan-2-one CAS Name: 6-(2-benzotriazolyl)-2-tert-butyl-3-ethylphenol; 3-propyl-2-oxepanone IUPAC Name: 6-(benzotriazol-2-yl)-2-tert-butyl-3-ethylphenol; 3-propyloxepan-2-one Traditional Name: 6-(benzotriazol-2-yl)-2-tert-butyl-3-ethyl-phenol; 3-propyloxepan-2-one Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCCOC1=O.CCC1=C(C(=C(C=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

Isomeric SMILES

CCCC1CCCCOC1=O.CCC1=C(C(=C(C=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

InChI

InChI=1S/C18H21N3O.C9H16O2/c1-5-12-10-11-15(17(22)16(12)18(2,3)4)21-19-13-8-6-7-9-14(13)20-21;1-2-5-8-6-3-4-7-11-9(8)10/h6-11,22H,5H2,1-4H3;8H,2-7H2,1H3