3,4-bis(9-hexyloctadecan-9-yl)phthalic acid

Systemtic Name: 3,4-bis(9-hexyloctadecan-9-yl)phthalic acid Openeye Name: 3,4-bis(1-hexyl-1-octyl-decyl)phthalic acid CAS Name: 3,4-bis(9-hexyloctadecan-9-yl)phthalic acid IUPAC Name: 3,4-bis(9-hexyloctadecan-9-yl)phthalic acid Traditional Name: 3,4-bis(1-hexyl-1-octyl-decyl)phthalic acid Formula: C56H102O4 MolecularWeight: 839.40668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC)(CCCCCCCC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCCCCC)(CCCCCCCC)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(CCCCCC)(CCCCCCCC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCCCCC)(CCCCCCCC)CCCCCCCCC

InChI

InChI=1S/C56H102O4/c1-7-13-19-25-29-33-38-45-55(43-35-23-17-11-5,44-37-31-27-21-15-9-3)50-42-41-49(53(57)58)51(54(59)60)52(50)56(46-36-24-18-12-6,47-39-32-28-22-16-10-4)48-40-34-30-26-20-14-8-2/h41-42H,7-40,43-48H2,1-6H3,(H,57,58)(H,59,60)