bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2,6-dinitro-phenyl]methanol

Systemtic Name: bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2,6-dinitro-phenyl]methanol Openeye Name: bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2,6-dinitro-phenyl]methanol CAS Name: bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2,6-dinitrophenyl]methanol IUPAC Name: bis(4-hexadecoxyphenyl)-[3-(4-hexadecoxyphenyl)-2,6-dinitrophenyl]methanol Traditional Name: bis(4-cetyloxyphenyl)-[3-(4-cetyloxyphenyl)-2,6-dinitro-phenyl]methanol Formula: C73H114N2O8 MolecularWeight: 1147.69486

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C73H114N2O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-60-81-66-52-46-63(47-53-66)69-58-59-70(74(77)78)71(72(69)75(79)80)73(76,64-48-54-67(55-49-64)82-61-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)65-50-56-68(57-51-65)83-62-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-59,76H,4-45,60-62H2,1-3H3