calcium (2R)-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: calcium (2R)-2-oxidanyl-3-phenyl-propanoate Openeye Name: calcium (2R)-2-hydroxy-3-phenyl-propanoate CAS Name: calcium (2R)-2-hydroxy-3-phenylpropanoate IUPAC Name: calcium (2R)-2-hydroxy-3-phenylpropanoate Traditional Name: calcium (2R)-2-hydroxy-3-phenyl-propionate Formula: C18H18CaO6 MolecularWeight: 370.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])O.C1=CC=C(C=C1)CC(C(=O)[O-])O.[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])O.C1=CC=C(C=C1)C[C@H](C(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C9H10O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5,8,10H,6H2,(H,11,12);/q;;+2/p-2/t2*8-;/m11./s1