sodium 3-butoxy-2,4-dimethoxy-benzenesulfonate

Systemtic Name: sodium 3-butoxy-2,4-dimethoxy-benzenesulfonate Openeye Name: sodium 3-butoxy-2,4-dimethoxy-benzenesulfonate CAS Name: sodium 3-butoxy-2,4-dimethoxybenzenesulfonate IUPAC Name: sodium 3-butoxy-2,4-dimethoxybenzenesulfonate Traditional Name: sodium 3-butoxy-2,4-dimethoxy-besylate Formula: C12H17NaO6S MolecularWeight: 312.31455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1OC)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CCCCOC1=C(C=CC(=C1OC)S(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C12H18O6S.Na/c1-4-5-8-18-11-9(16-2)6-7-10(12(11)17-3)19(13,14)15;/h6-7H,4-5,8H2,1-3H3,(H,13,14,15);/q;+1/p-1