(4S)-4-(benzotriazol-1-yl)-2,2-dimethyl-4-phenoxy-decan-3-one

Systemtic Name: (4S)-4-(benzotriazol-1-yl)-2,2-dimethyl-4-phenoxy-decan-3-one Openeye Name: (4S)-4-(benzotriazol-1-yl)-2,2-dimethyl-4-phenoxy-decan-3-one CAS Name: (4S)-4-(1-benzotriazolyl)-2,2-dimethyl-4-phenoxy-3-decanone IUPAC Name: (4S)-4-(benzotriazol-1-yl)-2,2-dimethyl-4-phenoxydecan-3-one Traditional Name: (4S)-4-(benzotriazol-1-yl)-2,2-dimethyl-4-phenoxy-decan-3-one Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)C(C)(C)C)(N1C2=CC=CC=C2N=N1)OC3=CC=CC=C3

Isomeric SMILES

CCCCCC[C@](C(=O)C(C)(C)C)(N1C2=CC=CC=C2N=N1)OC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-5-6-7-13-18-24(22(28)23(2,3)4,29-19-14-9-8-10-15-19)27-21-17-12-11-16-20(21)25-26-27/h8-12,14-17H,5-7,13,18H2,1-4H3/t24-/m0/s1