3,4-di(decanoyl)-5,6-dihexyl-phthalic acid

Systemtic Name: 3,4-di(decanoyl)-5,6-dihexyl-phthalic acid Openeye Name: 3,4-di(decanoyl)-5,6-dihexyl-phthalic acid CAS Name: 3,4-dihexyl-5,6-bis(1-oxodecyl)phthalic acid IUPAC Name: 3,4-di(decanoyl)-5,6-dihexylphthalic acid Traditional Name: 3,4-dicapryl-5,6-dihexyl-phthalic acid Formula: C40H66O6 MolecularWeight: 642.94844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=C(C(=C(C(=C1C(=O)CCCCCCCCC)C(=O)O)C(=O)O)CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)C1=C(C(=C(C(=C1C(=O)CCCCCCCCC)C(=O)O)C(=O)O)CCCCCC)CCCCCC

InChI

InChI=1S/C40H66O6/c1-5-9-13-17-19-21-25-29-33(41)35-31(27-23-15-11-7-3)32(28-24-16-12-8-4)36(39(43)44)38(40(45)46)37(35)34(42)30-26-22-20-18-14-10-6-2/h5-30H2,1-4H3,(H,43,44)(H,45,46)