sodium 2-octoxycarbonylbenzenesulfonic acid

Systemtic Name: sodium 2-octoxycarbonylbenzenesulfonic acid Openeye Name: sodium 2-octoxycarbonylbenzenesulfonic acid CAS Name: sodium 2-[octoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: sodium 2-octoxycarbonylbenzenesulfonic acid Traditional Name: sodium 2-octoxycarbonylbesylic acid Formula: C15H22NaO5S+ MolecularWeight: 337.38695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)O.[Na+]

InChI

InChI=1S/C15H22O5S.Na/c1-2-3-4-5-6-9-12-20-15(16)13-10-7-8-11-14(13)21(17,18)19;/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18,19);/q;+1