[2-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxidanidyl-benzotriazol-1-yl]-phenyl-methanone

Systemtic Name: [2-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxidanidyl-benzotriazol-1-yl]-phenyl-methanone Openeye Name: [2-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxido-benzotriazol-1-yl]-phenyl-methanone CAS Name: [2-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxido-1-benzotriazolyl]-phenylmethanone IUPAC Name: [2-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxidobenzotriazol-1-yl]-phenylmethanone Traditional Name: [2-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxido-benzotriazol-1-yl]-phenyl-methanone Formula: C29H30N5O4- MolecularWeight: 512.5796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(O2)N3N(C4=CC=CC=C4N3[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(O2)N3N(C4=CC=CC=C4N3[O-])C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H30N5O4/c1-2-3-4-5-6-12-21-37-24-19-17-22(18-20-24)27-30-31-29(38-27)33-32(28(35)23-13-8-7-9-14-23)25-15-10-11-16-26(25)34(33)36/h7-11,13-20H,2-6,12,21H2,1H3/q-1