phthalic acid; 2,2,3-trioctylhexanedioate

Systemtic Name: phthalic acid; 2,2,3-trioctylhexanedioate Openeye Name: phthalic acid; 2,2,3-trioctylhexanedioate CAS Name: phthalic acid; 2,2,3-trioctylhexanedioate IUPAC Name: phthalic acid; 2,2,3-trioctylhexanedioate Traditional Name: phthalic acid; 2,2,3-trioctyladipate Formula: C38H62O8-2 MolecularWeight: 646.89408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC(=O)[O-])C(CCCCCCCC)(CCCCCCCC)C(=O)[O-].C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(CCC(=O)[O-])C(CCCCCCCC)(CCCCCCCC)C(=O)[O-].C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C30H58O4.C8H6O4/c1-4-7-10-13-16-19-22-27(23-24-28(31)32)30(29(33)34,25-20-17-14-11-8-5-2)26-21-18-15-12-9-6-3;9-7(10)5-3-1-2-4-6(5)8(11)12/h27H,4-26H2,1-3H3,(H,31,32)(H,33,34);1-4H,(H,9,10)(H,11,12)/p-2