2-oxidanylpropane-1,2,3-tricarboxylate phenoxide

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate phenoxide Openeye Name: citrate phenoxide CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate phenoxide IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate phenoxide Traditional Name: citrate phenoxide Formula: C12H10O8-4 MolecularWeight: 282.203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

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