hexasodium 2-dodecylbenzenesulfonate phosphate

Systemtic Name: hexasodium 2-dodecylbenzenesulfonate phosphate Openeye Name: hexasodium 2-dodecylbenzenesulfonate phosphate CAS Name: hexasodium 2-dodecylbenzenesulfonate phosphate IUPAC Name: hexasodium 2-dodecylbenzenesulfonate phosphate Traditional Name: hexasodium 2-laurylbesylate phosphate Formula: C54H87Na6O13PS3 MolecularWeight: 1209.368161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H30O3S.6Na.H3O4P/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;;;;;;;1-5(2,3)4/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);;;;;;;(H3,1,2,3,4)/q;;;6*+1;/p-6