4,5-bis(12-decyl-14-methyl-tetracosan-12-yl)benzene-1,2-diol

Systemtic Name: 4,5-bis(12-decyl-14-methyl-tetracosan-12-yl)benzene-1,2-diol Openeye Name: 4,5-bis(1-decyl-3-methyl-1-undecyl-tridecyl)benzene-1,2-diol CAS Name: 4,5-bis(12-decyl-14-methyltetracosan-12-yl)benzene-1,2-diol IUPAC Name: 4,5-bis(12-decyl-14-methyltetracosan-12-yl)benzene-1,2-diol Traditional Name: 4,5-bis(1-decyl-3-methyl-1-undecyl-tridecyl)pyrocatechol Formula: C76H146O2 MolecularWeight: 1091.97124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCCCC)(CC(C)CCCCCCCCCC)C1=CC(=C(C=C1C(CCCCCCCCCC)(CCCCCCCCCCC)CC(C)CCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCCCC)(CC(C)CCCCCCCCCC)C1=CC(=C(C=C1C(CCCCCCCCCC)(CCCCCCCCCCC)CC(C)CCCCCCCCCC)O)O

InChI

InChI=1S/C76H146O2/c1-9-15-21-27-33-39-45-51-57-63-75(61-55-49-43-37-31-25-19-13-5,67-69(7)59-53-47-41-35-29-23-17-11-3)71-65-73(77)74(78)66-72(71)76(62-56-50-44-38-32-26-20-14-6,64-58-52-46-40-34-28-22-16-10-2)68-70(8)60-54-48-42-36-30-24-18-12-4/h65-66,69-70,77-78H,9-64,67-68H2,1-8H3