2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; phthalic acid; propane-1,3-diol

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; phthalic acid; propane-1,3-diol Openeye Name: adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; phthalic acid; propane-1,3-diol CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; phthalic acid; propane-1,3-diol IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; phthalic acid; propane-1,3-diol Traditional Name: adipic acid; 2-ethyl-2-methylol-propane-1,3-diol; phthalic acid; propane-1,3-diol Formula: C23H38O13 MolecularWeight: 522.54002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C6H10O4.C6H14O3.C3H8O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;4-2-1-3-5/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;4-5H,1-3H2