2,4,5-tris(10-methylundecoxycarbonyl)benzoic acid

Systemtic Name: 2,4,5-tris(10-methylundecoxycarbonyl)benzoic acid Openeye Name: 2,4,5-tris(10-methylundecoxycarbonyl)benzoic acid CAS Name: 2,4,5-tris[10-methylundecoxy(oxo)methyl]benzoic acid IUPAC Name: 2,4,5-tris(10-methylundecoxycarbonyl)benzoic acid Traditional Name: 2,4,5-tris(10-methylundecoxycarbonyl)benzoic acid Formula: C46H78O8 MolecularWeight: 759.10672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCC(C)C

InChI

InChI=1S/C46H78O8/c1-36(2)28-22-16-10-7-13-19-25-31-52-44(49)40-35-42(46(51)54-33-27-21-15-9-12-18-24-30-38(5)6)41(34-39(40)43(47)48)45(50)53-32-26-20-14-8-11-17-23-29-37(3)4/h34-38H,7-33H2,1-6H3,(H,47,48)