2,3-bis[(4-hexadecyl-2-oxidanyl-phenyl)carbonyloxy]propyl 4-hexadecyl-2-oxidanyl-benzoate

Systemtic Name: 2,3-bis[(4-hexadecyl-2-oxidanyl-phenyl)carbonyloxy]propyl 4-hexadecyl-2-oxidanyl-benzoate Openeye Name: 2,3-bis[(4-hexadecyl-2-hydroxy-benzoyl)oxy]propyl 4-hexadecyl-2-hydroxy-benzoate CAS Name: 4-hexadecyl-2-hydroxybenzoic acid 2,3-bis[(4-hexadecyl-2-hydroxyphenyl)-oxomethoxy]propyl ester IUPAC Name: 2,3-bis[(4-hexadecyl-2-hydroxybenzoyl)oxy]propyl 4-hexadecyl-2-hydroxybenzoate Traditional Name: 4-cetyl-2-hydroxy-benzoic acid 2,3-bis[(4-cetyl-2-hydroxy-benzoyl)oxy]propyl ester Formula: C72H116O9 MolecularWeight: 1125.68604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)C(=O)OCC(COC(=O)C2=C(C=C(C=C2)CCCCCCCCCCCCCCCC)O)OC(=O)C3=C(C=C(C=C3)CCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)C(=O)OCC(COC(=O)C2=C(C=C(C=C2)CCCCCCCCCCCCCCCC)O)OC(=O)C3=C(C=C(C=C3)CCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C72H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-60-49-52-64(67(73)55-60)70(76)79-58-63(81-72(78)66-54-51-62(57-69(66)75)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-80-71(77)65-53-50-61(56-68(65)74)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-57,63,73-75H,4-48,58-59H2,1-3H3