sodium 4-oxidanyl-2-pentadecyl-benzenesulfonic acid

Systemtic Name: sodium 4-oxidanyl-2-pentadecyl-benzenesulfonic acid Openeye Name: sodium 4-hydroxy-2-pentadecyl-benzenesulfonic acid CAS Name: sodium 4-hydroxy-2-pentadecylbenzenesulfonic acid IUPAC Name: sodium 4-hydroxy-2-pentadecylbenzenesulfonic acid Traditional Name: sodium 4-hydroxy-2-pentadecyl-besylic acid Formula: C21H36NaO4S+ MolecularWeight: 407.56291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C21H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20(22)16-17-21(19)26(23,24)25;/h16-18,22H,2-15H2,1H3,(H,23,24,25);/q;+1