(2,6-dinitrophenyl)methoxy-tris(4-hexadecoxyphenyl)silane

Systemtic Name: (2,6-dinitrophenyl)methoxy-tris(4-hexadecoxyphenyl)silane Openeye Name: (2,6-dinitrophenyl)methoxy-tris(4-hexadecoxyphenyl)silane CAS Name: (2,6-dinitrophenyl)methoxy-tris(4-hexadecoxyphenyl)silane IUPAC Name: (2,6-dinitrophenyl)methoxy-tris(4-hexadecoxyphenyl)silane Traditional Name: tris(4-cetyloxyphenyl)-(2,6-dinitrobenzyl)oxy-silane Formula: C73H116N2O8Si MolecularWeight: 1177.79624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[Si](C2=CC=C(C=C2)OCCCCCCCCCCCCCCCC)(C3=CC=C(C=C3)OCCCCCCCCCCCCCCCC)OCC4=C(C=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[Si](C2=CC=C(C=C2)OCCCCCCCCCCCCCCCC)(C3=CC=C(C=C3)OCCCCCCCCCCCCCCCC)OCC4=C(C=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C73H116N2O8Si/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-61-80-65-49-55-68(56-50-65)84(83-64-71-72(74(76)77)47-46-48-73(71)75(78)79,69-57-51-66(52-58-69)81-62-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)70-59-53-67(54-60-70)82-63-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-60H,4-45,61-64H2,1-3H3