sodium 4-[4-(2-hydroxyethyloxysulfonyl)phenoxy]butanoate

Systemtic Name: sodium 4-[4-(2-hydroxyethyloxysulfonyl)phenoxy]butanoate Openeye Name: sodium 4-[4-(2-hydroxyethoxysulfonyl)phenoxy]butanoate CAS Name: sodium 4-[4-(2-hydroxyethoxysulfonyl)phenoxy]butanoate IUPAC Name: sodium 4-[4-(2-hydroxyethoxysulfonyl)phenoxy]butanoate Traditional Name: sodium 4-[4-(2-hydroxyethoxysulfonyl)phenoxy]butyrate Formula: C12H15NaO7S MolecularWeight: 326.29807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(=O)[O-])S(=O)(=O)OCCO.[Na+]

Isomeric SMILES

C1=CC(=CC=C1OCCCC(=O)[O-])S(=O)(=O)OCCO.[Na+]

InChI

InChI=1S/C12H16O7S.Na/c13-7-9-19-20(16,17)11-5-3-10(4-6-11)18-8-1-2-12(14)15;/h3-6,13H,1-2,7-9H2,(H,14,15);/q;+1/p-1