sodium dodecyl 2-dodecylbenzenesulfonate

Systemtic Name: sodium dodecyl 2-dodecylbenzenesulfonate Openeye Name: sodium dodecyl 2-dodecylbenzenesulfonate CAS Name: sodium 2-dodecylbenzenesulfonic acid dodecyl ester IUPAC Name: sodium dodecyl 2-dodecylbenzenesulfonate Traditional Name: sodium 2-laurylbenzenesulfonic acid lauryl ester Formula: C30H54NaO3S+ MolecularWeight: 517.80273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C30H54O3S.Na/c1-3-5-7-9-11-13-15-17-19-21-25-29-26-22-23-27-30(29)34(31,32)33-28-24-20-18-16-14-12-10-8-6-4-2;/h22-23,26-27H,3-21,24-25,28H2,1-2H3;/q;+1