3-(hydroxymethyl)-3,4-bis(oxidanyl)hexanedioic acid

Systemtic Name: 3-(hydroxymethyl)-3,4-bis(oxidanyl)hexanedioic acid Openeye Name: 3,4-dihydroxy-3-(hydroxymethyl)hexanedioic acid CAS Name: 3,4-dihydroxy-3-(hydroxymethyl)hexanedioic acid IUPAC Name: 3,4-dihydroxy-3-(hydroxymethyl)hexanedioic acid Traditional Name: 3,4-dihydroxy-3-methylol-adipic acid Formula: C7H12O7 MolecularWeight: 208.16598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O7/c8-3-7(14,2-6(12)13)4(9)1-5(10)11/h4,8-9,14H,1-3H2,(H,10,11)(H,12,13)