trisodium; 2-dodecylbenzenesulfonate; 3-dodecylbenzenesulfonate

Systemtic Name: trisodium; 2-dodecylbenzenesulfonate; 3-dodecylbenzenesulfonate Openeye Name: trisodium; 2-dodecylbenzenesulfonate; 3-dodecylbenzenesulfonate CAS Name: trisodium; 2-dodecylbenzenesulfonate; 3-dodecylbenzenesulfonate IUPAC Name: trisodium; 2-dodecylbenzenesulfonate; 3-dodecylbenzenesulfonate Traditional Name: trisodium; 2-laurylbesylate; 3-laurylbesylate Formula: C54H87Na3O9S3 MolecularWeight: 1045.42749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C18H30O3S.3Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;2*1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;;;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2*12,14-16H,2-11,13H2,1H3,(H,19,20,21);;;/q;;;3*+1/p-3