hexanedioic acid; (E)-4-methyl-5,5-bis(oxidanyl)hex-2-enoic acid

Systemtic Name: hexanedioic acid; (E)-4-methyl-5,5-bis(oxidanyl)hex-2-enoic acid Openeye Name: adipic acid; (E)-5,5-dihydroxy-4-methyl-hex-2-enoic acid CAS Name: (E)-5,5-dihydroxy-4-methyl-2-hexenoic acid; hexanedioic acid IUPAC Name: (E)-5,5-dihydroxy-4-methylhex-2-enoic acid; hexanedioic acid Traditional Name: adipic acid; (E)-5,5-dihydroxy-4-methyl-hex-2-enoic acid Formula: C13H22O8 MolecularWeight: 306.30898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(/C=C/C(=O)O)C(C)(O)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C7H12O4.C6H10O4/c1-5(7(2,10)11)3-4-6(8)9;7-5(8)3-1-2-4-6(9)10/h3-5,10-11H,1-2H3,(H,8,9);1-4H2,(H,7,8)(H,9,10)/b4-3+;