bis(4-hexadecoxyphenyl)-(2-nitrophenyl)methanol

Systemtic Name: bis(4-hexadecoxyphenyl)-(2-nitrophenyl)methanol Openeye Name: bis(4-hexadecoxyphenyl)-(2-nitrophenyl)methanol CAS Name: bis(4-hexadecoxyphenyl)-(2-nitrophenyl)methanol IUPAC Name: bis(4-hexadecoxyphenyl)-(2-nitrophenyl)methanol Traditional Name: bis(4-cetyloxyphenyl)-(2-nitrophenyl)methanol Formula: C51H79NO5 MolecularWeight: 786.17666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCCCCCCCCCCCCCCCC)(C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCCCCCCCCCCCCCCCC)(C3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C51H79NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-43-56-47-39-35-45(36-40-47)51(53,49-33-29-30-34-50(49)52(54)55)46-37-41-48(42-38-46)57-44-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-42,53H,3-28,31-32,43-44H2,1-2H3