sodium (2R)-3-(3,5-dimethyl-4-phenylmethoxy-phenyl)-2-oxidanyl-propanoate

Systemtic Name: sodium (2R)-3-(3,5-dimethyl-4-phenylmethoxy-phenyl)-2-oxidanyl-propanoate Openeye Name: sodium (2R)-3-(4-benzyloxy-3,5-dimethyl-phenyl)-2-hydroxy-propanoate CAS Name: sodium (2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-hydroxypropanoate IUPAC Name: sodium (2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-hydroxypropanoate Traditional Name: sodium (2R)-3-(4-benzoxy-3,5-dimethyl-phenyl)-2-hydroxy-propionate Formula: C18H19NaO4 MolecularWeight: 322.33083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)CC(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C[C@H](C(=O)[O-])O.[Na+]

InChI

InChI=1S/C18H20O4.Na/c1-12-8-15(10-16(19)18(20)21)9-13(2)17(12)22-11-14-6-4-3-5-7-14;/h3-9,16,19H,10-11H2,1-2H3,(H,20,21);/q;+1/p-1/t16-;/m1./s1