3,4-di(octadecan-9-yl)phthalic acid

Systemtic Name: 3,4-di(octadecan-9-yl)phthalic acid Openeye Name: 3,4-bis(1-octyldecyl)phthalic acid CAS Name: 3,4-di(octadecan-9-yl)phthalic acid IUPAC Name: 3,4-di(octadecan-9-yl)phthalic acid Traditional Name: 3,4-bis(1-octyldecyl)phthalic acid Formula: C44H78O4 MolecularWeight: 671.08772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H78O4/c1-5-9-13-17-21-25-28-32-37(31-27-23-19-15-11-7-3)39-35-36-40(43(45)46)42(44(47)48)41(39)38(33-29-24-20-16-12-8-4)34-30-26-22-18-14-10-6-2/h35-38H,5-34H2,1-4H3,(H,45,46)(H,47,48)