3,4-bis(10-heptylicosan-10-yl)phthalic acid

Systemtic Name: 3,4-bis(10-heptylicosan-10-yl)phthalic acid Openeye Name: 3,4-bis(1-heptyl-1-nonyl-undecyl)phthalic acid CAS Name: 3,4-bis(10-heptyleicosan-10-yl)phthalic acid IUPAC Name: 3,4-bis(10-heptylicosan-10-yl)phthalic acid Traditional Name: 3,4-bis(1-heptyl-1-nonyl-undecyl)phthalic acid Formula: C62H114O4 MolecularWeight: 923.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCC)(CCCCCCCCC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCCCCCC)(CCCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(CCCCCCC)(CCCCCCCCC)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCCCCCC)(CCCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C62H114O4/c1-7-13-19-25-29-33-38-43-51-61(49-41-35-23-17-11-5,50-42-37-31-27-21-15-9-3)56-48-47-55(59(63)64)57(60(65)66)58(56)62(52-44-36-24-18-12-6,53-45-39-32-28-22-16-10-4)54-46-40-34-30-26-20-14-8-2/h47-48H,7-46,49-54H2,1-6H3,(H,63,64)(H,65,66)