3,4-bis(2-ethylhexyl)-5,6-dioctyl-phthalic acid

Systemtic Name: 3,4-bis(2-ethylhexyl)-5,6-dioctyl-phthalic acid Openeye Name: 3,4-bis(2-ethylhexyl)-5,6-dioctyl-phthalic acid CAS Name: 3,4-bis(2-ethylhexyl)-5,6-dioctylphthalic acid IUPAC Name: 3,4-bis(2-ethylhexyl)-5,6-dioctylphthalic acid Traditional Name: 3,4-bis(2-ethylhexyl)-5,6-dioctyl-phthalic acid Formula: C40H70O4 MolecularWeight: 614.9814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1CC(CC)CCCC)CC(CC)CCCC)C(=O)O)C(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1CC(CC)CCCC)CC(CC)CCCC)C(=O)O)C(=O)O)CCCCCCCC

InChI

InChI=1S/C40H70O4/c1-7-13-17-19-21-23-27-33-34(28-24-22-20-18-14-8-2)37(39(41)42)38(40(43)44)36(30-32(12-6)26-16-10-4)35(33)29-31(11-5)25-15-9-3/h31-32H,7-30H2,1-6H3,(H,41,42)(H,43,44)