methanal; 2-oxidanylpropane-1,2,3-tricarboxylic acid; phenol

Systemtic Name: methanal; 2-oxidanylpropane-1,2,3-tricarboxylic acid; phenol Openeye Name: citric acid; formaldehyde; phenol CAS Name: formaldehyde; 2-hydroxypropane-1,2,3-tricarboxylic acid; phenol IUPAC Name: formaldehyde; 2-hydroxypropane-1,2,3-tricarboxylic acid; phenol Traditional Name: citric acid; formaldehyde; phenol Formula: C13H16O9 MolecularWeight: 316.26074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C6H6O.CH2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-6-4-2-1-3-5-6;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-5,7H;1H2