sodium 2-(3-hexoxy-2-oxidanyl-propoxy)benzoic acid

Systemtic Name: sodium 2-(3-hexoxy-2-oxidanyl-propoxy)benzoic acid Openeye Name: sodium 2-(3-hexoxy-2-hydroxy-propoxy)benzoic acid CAS Name: sodium 2-(3-hexoxy-2-hydroxypropoxy)benzoic acid IUPAC Name: sodium 2-(3-hexoxy-2-hydroxypropoxy)benzoic acid Traditional Name: sodium 2-(3-hexoxy-2-hydroxy-propoxy)benzoic acid Formula: C16H24NaO5+ MolecularWeight: 319.34853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(COC1=CC=CC=C1C(=O)O)O.[Na+]

Isomeric SMILES

CCCCCCOCC(COC1=CC=CC=C1C(=O)O)O.[Na+]

InChI

InChI=1S/C16H24O5.Na/c1-2-3-4-7-10-20-11-13(17)12-21-15-9-6-5-8-14(15)16(18)19;/h5-6,8-9,13,17H,2-4,7,10-12H2,1H3,(H,18,19);/q;+1