sodium 2,5-bis(oxidanyl)-4-pentadecyl-benzenesulfonic acid

Systemtic Name: sodium 2,5-bis(oxidanyl)-4-pentadecyl-benzenesulfonic acid Openeye Name: sodium 2,5-dihydroxy-4-pentadecyl-benzenesulfonic acid CAS Name: sodium 2,5-dihydroxy-4-pentadecylbenzenesulfonic acid IUPAC Name: sodium 2,5-dihydroxy-4-pentadecylbenzenesulfonic acid Traditional Name: sodium 2,5-dihydroxy-4-pentadecyl-besylic acid Formula: C21H36NaO5S+ MolecularWeight: 423.56231

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C=C1O)S(=O)(=O)O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C=C1O)S(=O)(=O)O)O.[Na+]

InChI

InChI=1S/C21H36O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)21(17-19(18)22)27(24,25)26;/h16-17,22-23H,2-15H2,1H3,(H,24,25,26);/q;+1