4,5-bis(octadecoxycarbonyl)phthalic acid

Systemtic Name: 4,5-bis(octadecoxycarbonyl)phthalic acid Openeye Name: 4,5-bis(octadecoxycarbonyl)phthalic acid CAS Name: 4,5-bis[octadecoxy(oxo)methyl]phthalic acid IUPAC Name: 4,5-bis(octadecoxycarbonyl)phthalic acid Traditional Name: 4,5-bis(stearyloxycarbonyl)phthalic acid Formula: C46H78O8 MolecularWeight: 759.10672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H78O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-53-45(51)41-37-39(43(47)48)40(44(49)50)38-42(41)46(52)54-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3,(H,47,48)(H,49,50)