tetrasodium; 2-decylbenzenesulfonate; 2-dodecylbenzenesulfonate; 2-tridecylbenzenesulfonate; 2-undecylbenzenesulfonate

Systemtic Name: tetrasodium; 2-decylbenzenesulfonate; 2-dodecylbenzenesulfonate; 2-tridecylbenzenesulfonate; 2-undecylbenzenesulfonate Openeye Name: tetrasodium; 2-decylbenzenesulfonate; 2-dodecylbenzenesulfonate; 2-tridecylbenzenesulfonate; 2-undecylbenzenesulfonate CAS Name: tetrasodium; 2-decylbenzenesulfonate; 2-dodecylbenzenesulfonate; 2-tridecylbenzenesulfonate; 2-undecylbenzenesulfonate IUPAC Name: tetrasodium; 2-decylbenzenesulfonate; 2-dodecylbenzenesulfonate; 2-tridecylbenzenesulfonate; 2-undecylbenzenesulfonate Traditional Name: tetrasodium; 2-decylbesylate; 2-laurylbesylate; 2-tridecylbesylate; 2-undecylbesylate Formula: C70H112Na4O12S4 MolecularWeight: 1365.85016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C19H32O3S.C18H30O3S.C17H28O3S.C16H26O3S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21(18,19)20;1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)20(17,18)19;;;;/h13-14,16-17H,2-12,15H2,1H3,(H,20,21,22);12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);11-12,14-15H,2-10,13H2,1H3,(H,18,19,20);10-11,13-14H,2-9,12H2,1H3,(H,17,18,19);;;;/q;;;;4*+1/p-4