sodium (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate dihydrate

Systemtic Name: sodium (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate dihydrate Openeye Name: sodium (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate dihydrate CAS Name: sodium (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate dihydrate IUPAC Name: sodium (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate dihydrate Traditional Name: sodium (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylate dihydrate Formula: C10H13NaO6 MolecularWeight: 252.19639

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)[O-])O.O.O.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)[O-])O.O.O.[Na+]

InChI

InChI=1S/C10H10O4.Na.2H2O/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;;;/h2-6,11H,1H3,(H,12,13);;2*1H2/q;+1;;/p-1/b5-3+;;;