3,4-diacetyloxy-3-(carboxymethyl)-4-(hydroxymethyl)hexanedioic acid

Systemtic Name: 3,4-diacetyloxy-3-(carboxymethyl)-4-(hydroxymethyl)hexanedioic acid Openeye Name: 3,4-diacetoxy-3-(carboxymethyl)-4-(hydroxymethyl)hexanedioic acid CAS Name: 3,4-diacetyloxy-3-(carboxymethyl)-4-(hydroxymethyl)hexanedioic acid IUPAC Name: 3,4-diacetyloxy-3-(carboxymethyl)-4-(hydroxymethyl)hexanedioic acid Traditional Name: 3,4-diacetoxy-3-(carboxymethyl)-4-methylol-adipic acid Formula: C13H18O11 MolecularWeight: 350.27542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)(CC(=O)O)C(CC(=O)O)(CO)OC(=O)C

Isomeric SMILES

CC(=O)OC(CC(=O)O)(CC(=O)O)C(CC(=O)O)(CO)OC(=O)C

InChI

InChI=1S/C13H18O11/c1-7(15)23-12(3-9(17)18,4-10(19)20)13(6-14,5-11(21)22)24-8(2)16/h14H,3-6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)