2,4,5-tris(16-methylheptadecoxycarbonyl)benzoic acid

Systemtic Name: 2,4,5-tris(16-methylheptadecoxycarbonyl)benzoic acid Openeye Name: 2,4,5-tris(16-methylheptadecoxycarbonyl)benzoic acid CAS Name: 2,4,5-tris[16-methylheptadecoxy(oxo)methyl]benzoic acid IUPAC Name: 2,4,5-tris(16-methylheptadecoxycarbonyl)benzoic acid Traditional Name: 2,4,5-tris(16-methylheptadecoxycarbonyl)benzoic acid Formula: C64H114O8 MolecularWeight: 1011.58516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C64H114O8/c1-54(2)46-40-34-28-22-16-10-7-13-19-25-31-37-43-49-70-62(67)58-53-60(64(69)72-51-45-39-33-27-21-15-9-12-18-24-30-36-42-48-56(5)6)59(52-57(58)61(65)66)63(68)71-50-44-38-32-26-20-14-8-11-17-23-29-35-41-47-55(3)4/h52-56H,7-51H2,1-6H3,(H,65,66)