sodium 5-(2-methanoyl-3-oxidanyl-phenoxy)pentanoate

Systemtic Name: sodium 5-(2-methanoyl-3-oxidanyl-phenoxy)pentanoate Openeye Name: sodium 5-(2-formyl-3-hydroxy-phenoxy)pentanoate CAS Name: sodium 5-(2-formyl-3-hydroxyphenoxy)pentanoate IUPAC Name: sodium 5-(2-formyl-3-hydroxyphenoxy)pentanoate Traditional Name: sodium 5-(2-formyl-3-hydroxy-phenoxy)valerate Formula: C12H13NaO5 MolecularWeight: 260.21839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O5.Na/c13-8-9-10(14)4-3-5-11(9)17-7-2-1-6-12(15)16;/h3-5,8,14H,1-2,6-7H2,(H,15,16);/q;+1/p-1