3-benzamido-2-oxidanyl-3-phenyl-propanoate trihydrate

Systemtic Name: 3-benzamido-2-oxidanyl-3-phenyl-propanoate trihydrate Openeye Name: 3-benzamido-2-hydroxy-3-phenyl-propanoate trihydrate CAS Name: 3-benzamido-2-hydroxy-3-phenylpropanoate trihydrate IUPAC Name: 3-benzamido-2-hydroxy-3-phenylpropanoate trihydrate Traditional Name: 3-benzamido-2-hydroxy-3-phenyl-propionate trihydrate Formula: C16H20NO7- MolecularWeight: 338.3325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)[O-])O)NC(=O)C2=CC=CC=C2.O.O.O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)[O-])O)NC(=O)C2=CC=CC=C2.O.O.O

InChI

InChI=1S/C16H15NO4.3H2O/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12;;;/h1-10,13-14,18H,(H,17,19)(H,20,21);3*1H2/p-1