sodium 4-methoxy-4-phenoxy-butane-1-sulfonic acid

Systemtic Name: sodium 4-methoxy-4-phenoxy-butane-1-sulfonic acid Openeye Name: sodium 4-methoxy-4-phenoxy-butane-1-sulfonic acid CAS Name: sodium 4-methoxy-4-phenoxy-1-butanesulfonic acid IUPAC Name: sodium 4-methoxy-4-phenoxybutane-1-sulfonic acid Traditional Name: sodium 4-methoxy-4-phenoxy-butane-1-sulfonic acid Formula: C11H16NaO5S+ MolecularWeight: 283.29651

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCCS(=O)(=O)O)OC1=CC=CC=C1.[Na+]

Isomeric SMILES

COC(CCCS(=O)(=O)O)OC1=CC=CC=C1.[Na+]

InChI

InChI=1S/C11H16O5S.Na/c1-15-11(8-5-9-17(12,13)14)16-10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9H2,1H3,(H,12,13,14);/q;+1