tris(4-hexadecoxyphenyl)-[(2-nitrophenyl)methoxy]silane

Systemtic Name: tris(4-hexadecoxyphenyl)-[(2-nitrophenyl)methoxy]silane Openeye Name: tris(4-hexadecoxyphenyl)-[(2-nitrophenyl)methoxy]silane CAS Name: tris(4-hexadecoxyphenyl)-[(2-nitrophenyl)methoxy]silane IUPAC Name: tris(4-hexadecoxyphenyl)-[(2-nitrophenyl)methoxy]silane Traditional Name: tris(4-cetyloxyphenyl)-(2-nitrobenzyl)oxy-silane Formula: C73H117NO6Si MolecularWeight: 1132.79868

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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=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C73H117NO6Si/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-45-62-77-67-50-56-70(57-51-67)81(80-65-66-48-43-44-49-73(66)74(75)76,71-58-52-68(53-59-71)78-63-46-41-38-35-32-29-26-23-20-17-14-11-8-5-2)72-60-54-69(55-61-72)79-64-47-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h43-44,48-61H,4-42,45-47,62-65H2,1-3H3