sodium 4-hexoxycarbonyloxybenzenesulfonic acid

Systemtic Name: sodium 4-hexoxycarbonyloxybenzenesulfonic acid Openeye Name: sodium 4-hexoxycarbonyloxybenzenesulfonic acid CAS Name: sodium 4-[hexoxy(oxo)methoxy]benzenesulfonic acid IUPAC Name: sodium 4-hexoxycarbonyloxybenzenesulfonic acid Traditional Name: sodium 4-hexoxycarbonyloxybesylic acid Formula: C13H18NaO6S+ MolecularWeight: 325.33319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OC1=CC=C(C=C1)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCOC(=O)OC1=CC=C(C=C1)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C13H18O6S.Na/c1-2-3-4-5-10-18-13(14)19-11-6-8-12(9-7-11)20(15,16)17;/h6-9H,2-5,10H2,1H3,(H,15,16,17);/q;+1