bis[4-(3,4,5-tridodecoxyphenoxy)phenyl]methanone

Systemtic Name: bis[4-(3,4,5-tridodecoxyphenoxy)phenyl]methanone Openeye Name: bis[4-(3,4,5-tridodecoxyphenoxy)phenyl]methanone CAS Name: bis[4-(3,4,5-tridodecoxyphenoxy)phenyl]methanone IUPAC Name: bis[4-(3,4,5-tridodecoxyphenoxy)phenyl]methanone Traditional Name: bis[4-(3,4,5-trilauryloxyphenoxy)phenyl]methanone Formula: C97H162O9 MolecularWeight: 1472.31878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC(=C(C(=C4)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC(=C(C(=C4)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

InChI

InChI=1S/C97H162O9/c1-7-13-19-25-31-37-43-49-55-61-75-99-91-81-89(82-92(100-76-62-56-50-44-38-32-26-20-14-8-2)96(91)103-79-65-59-53-47-41-35-29-23-17-11-5)105-87-71-67-85(68-72-87)95(98)86-69-73-88(74-70-86)106-90-83-93(101-77-63-57-51-45-39-33-27-21-15-9-3)97(104-80-66-60-54-48-42-36-30-24-18-12-6)94(84-90)102-78-64-58-52-46-40-34-28-22-16-10-4/h67-74,81-84H,7-66,75-80H2,1-6H3