(3S)-4,4-bis(benzotriazol-1-yl)-3-oxidanyl-1,3-diphenyl-butan-1-one

Systemtic Name: (3S)-4,4-bis(benzotriazol-1-yl)-3-oxidanyl-1,3-diphenyl-butan-1-one Openeye Name: (3S)-4,4-bis(benzotriazol-1-yl)-3-hydroxy-1,3-diphenyl-butan-1-one CAS Name: (3S)-4,4-bis(1-benzotriazolyl)-3-hydroxy-1,3-diphenyl-1-butanone IUPAC Name: (3S)-4,4-bis(benzotriazol-1-yl)-3-hydroxy-1,3-diphenylbutan-1-one Traditional Name: (3S)-4,4-bis(benzotriazol-1-yl)-3-hydroxy-1,3-diphenyl-butan-1-one Formula: C28H22N6O2 MolecularWeight: 474.51328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)(C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[C@](C2=CC=CC=C2)(C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)O

InChI

InChI=1S/C28H22N6O2/c35-26(20-11-3-1-4-12-20)19-28(36,21-13-5-2-6-14-21)27(33-24-17-9-7-15-22(24)29-31-33)34-25-18-10-8-16-23(25)30-32-34/h1-18,27,36H,19H2/t28-/m0/s1