sodium 4-[4-(2-hydroxyethyloxy)-4-oxidanylidene-butoxy]benzenesulfonate

Systemtic Name: sodium 4-[4-(2-hydroxyethyloxy)-4-oxidanylidene-butoxy]benzenesulfonate Openeye Name: sodium 4-[4-(2-hydroxyethoxy)-4-oxo-butoxy]benzenesulfonate CAS Name: sodium 4-[4-(2-hydroxyethoxy)-4-oxobutoxy]benzenesulfonate IUPAC Name: sodium 4-[4-(2-hydroxyethoxy)-4-oxobutoxy]benzenesulfonate Traditional Name: sodium 4-[4-(2-hydroxyethoxy)-4-keto-butoxy]besylate Formula: C12H15NaO7S MolecularWeight: 326.29807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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