disodium; 2,2-dioctyl-3-sulfo-butanedioate; 2-dodecylbenzenesulfonate

Systemtic Name: disodium; 2,2-dioctyl-3-sulfo-butanedioate; 2-dodecylbenzenesulfonate Openeye Name: disodium; 2,2-dioctyl-3-sulfo-butanedioate; 2-dodecylbenzenesulfonate CAS Name: disodium; 2,2-dioctyl-3-sulfobutanedioate; 2-dodecylbenzenesulfonate IUPAC Name: disodium; 2,2-dioctyl-3-sulfobutanedioate; 2-dodecylbenzenesulfonate Traditional Name: disodium; 2,2-dioctyl-3-sulfo-succinate; 2-laurylbesylate Formula: C38H65Na2O10S2- MolecularWeight: 792.02624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCC(CCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCC(CCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H38O7S.C18H30O3S.2Na/c1-3-5-7-9-11-13-15-20(19(23)24,16-14-12-10-8-6-4-2)17(18(21)22)28(25,26)27;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;;/h17H,3-16H2,1-2H3,(H,21,22)(H,23,24)(H,25,26,27);12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);;/q;;2*+1/p-3