sodium [4-methyl-3-(oxidanidyloxymethyl)phenyl] 3-chloranylpropanoate

Systemtic Name: sodium [4-methyl-3-(oxidanidyloxymethyl)phenyl] 3-chloranylpropanoate Openeye Name: sodium [4-methyl-3-(oxidooxymethyl)phenyl] 3-chloropropanoate CAS Name: sodium 3-chloropropanoic acid [4-methyl-3-(oxidooxymethyl)phenyl] ester IUPAC Name: sodium [4-methyl-3-(oxidooxymethyl)phenyl] 3-chloropropanoate Traditional Name: sodium 3-chloropropionic acid [4-methyl-3-(oxidooxymethyl)phenyl] ester Formula: C11H12ClNaO4 MolecularWeight: 266.65335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CCCl)CO[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CCCl)CO[O-].[Na+]

InChI

InChI=1S/C11H13ClO4.Na/c1-8-2-3-10(6-9(8)7-15-14)16-11(13)4-5-12;/h2-3,6,14H,4-5,7H2,1H3;/q;+1/p-1