5-(3-hexadecoxyphenyl)-2-phenyl-1H-pyrazole-3,4,5-triol

Systemtic Name: 5-(3-hexadecoxyphenyl)-2-phenyl-1H-pyrazole-3,4,5-triol Openeye Name: 5-(3-hexadecoxyphenyl)-2-phenyl-1H-pyrazole-3,4,5-triol CAS Name: 5-(3-hexadecoxyphenyl)-2-phenyl-1H-pyrazole-3,4,5-triol IUPAC Name: 5-(3-hexadecoxyphenyl)-2-phenyl-1H-pyrazole-3,4,5-triol Traditional Name: 3-(3-cetyloxyphenyl)-1-phenyl-3-pyrazoline-3,4,5-triol Formula: C31H46N2O4 MolecularWeight: 510.70794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C2(C(=C(N(N2)C3=CC=CC=C3)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C2(C(=C(N(N2)C3=CC=CC=C3)O)O)O

InChI

InChI=1S/C31H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-37-28-23-19-20-26(25-28)31(36)29(34)30(35)33(32-31)27-21-16-15-17-22-27/h15-17,19-23,25,32,34-36H,2-14,18,24H2,1H3