sodium 2-(3-hexoxy-2-oxidanyl-propoxy)benzoate

Systemtic Name: sodium 2-(3-hexoxy-2-oxidanyl-propoxy)benzoate Openeye Name: sodium 2-(3-hexoxy-2-hydroxy-propoxy)benzoate CAS Name: sodium 2-(3-hexoxy-2-hydroxypropoxy)benzoate IUPAC Name: sodium 2-(3-hexoxy-2-hydroxypropoxy)benzoate Traditional Name: sodium 2-(3-hexoxy-2-hydroxy-propoxy)benzoate Formula: C16H23NaO5 MolecularWeight: 318.34059

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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/p-1