9-(3,4,5-triphenylpyrazol-1-yl)nonanoate

Systemtic Name: 9-(3,4,5-triphenylpyrazol-1-yl)nonanoate Openeye Name: 9-(3,4,5-triphenylpyrazol-1-yl)nonanoate CAS Name: 9-(3,4,5-triphenyl-1-pyrazolyl)nonanoate IUPAC Name: 9-(3,4,5-triphenylpyrazol-1-yl)nonanoate Traditional Name: 9-(3,4,5-triphenylpyrazol-1-yl)pelargonate Formula: C30H31N2O2- MolecularWeight: 451.57934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCCCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCCCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C30H32N2O2/c33-27(34)22-14-3-1-2-4-15-23-32-30(26-20-12-7-13-21-26)28(24-16-8-5-9-17-24)29(31-32)25-18-10-6-11-19-25/h5-13,16-21H,1-4,14-15,22-23H2,(H,33,34)/p-1