bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2-nitro-phenyl]methanol

Systemtic Name: bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2-nitro-phenyl]methanol Openeye Name: bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2-nitro-phenyl]methanol CAS Name: bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2-nitrophenyl]methanol IUPAC Name: bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2-nitrophenyl]methanol Traditional Name: bis(4-cetyloxyphenyl)-[3-(4-cetyloxyphenyl)-2-nitro-phenyl]methanol Formula: C73H115NO6 MolecularWeight: 1102.6973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C73H115NO6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-61-78-67-55-49-64(50-56-67)70-47-46-48-71(72(70)74(76)77)73(75,65-51-57-68(58-52-65)79-62-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-53-59-69(60-54-66)80-63-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-60,75H,4-45,61-63H2,1-3H3