2-ethylhexan-1-ol; hexanedioic acid; 3-methoxypropan-1-ol; phthalic acid

Systemtic Name: 2-ethylhexan-1-ol; hexanedioic acid; 3-methoxypropan-1-ol; phthalic acid Openeye Name: adipic acid; 2-ethylhexan-1-ol; 3-methoxypropan-1-ol; phthalic acid CAS Name: 2-ethyl-1-hexanol; hexanedioic acid; 3-methoxy-1-propanol; phthalic acid IUPAC Name: 2-ethylhexan-1-ol; hexanedioic acid; 3-methoxypropan-1-ol; phthalic acid Traditional Name: adipic acid; 2-ethylhexan-1-ol; 3-methoxypropan-1-ol; phthalic acid Formula: C26H44O11 MolecularWeight: 532.62096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CO.COCCCO.C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCC(CC)CO.COCCCO.C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C8H6O4.C8H18O.C6H10O4.C4H10O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-5-6-8(4-2)7-9;7-5(8)3-1-2-4-6(9)10;1-6-4-2-3-5/h1-4H,(H,9,10)(H,11,12);8-9H,3-7H2,1-2H3;1-4H2,(H,7,8)(H,9,10);5H,2-4H2,1H3