1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; (2,2-dimethyl-3-oxidanyl-propyl) 4-tert-butylbenzoate; hexanedioic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; (2,2-dimethyl-3-oxidanyl-propyl) 4-tert-butylbenzoate; hexanedioic acid Openeye Name: adipic acid; 1,3-dioxoisobenzofuran-5-carboxylic acid; (3-hydroxy-2,2-dimethyl-propyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (3-hydroxy-2,2-dimethylpropyl) ester; 1,3-dioxo-5-isobenzofurancarboxylic acid; hexanedioic acid IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid; hexanedioic acid; (3-hydroxy-2,2-dimethylpropyl) 4-tert-butylbenzoate Traditional Name: adipic acid; 4-tert-butylbenzoic acid (3-hydroxy-2,2-dimethyl-propyl) ester; trimellitic anhydride Formula: C31H38O12 MolecularWeight: 602.62622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(C)(C)CO.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(C)(C)CO.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C16H24O3.C9H4O5.C6H10O4/c1-15(2,3)13-8-6-12(7-9-13)14(18)19-11-16(4,5)10-17;10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;7-5(8)3-1-2-4-6(9)10/h6-9,17H,10-11H2,1-5H3;1-3H,(H,10,11);1-4H2,(H,7,8)(H,9,10)