2-dodecylbenzenesulfonate; 2-sulfobutanedioic acid

Systemtic Name: 2-dodecylbenzenesulfonate; 2-sulfobutanedioic acid Openeye Name: 2-dodecylbenzenesulfonate; 2-sulfobutanedioic acid CAS Name: 2-dodecylbenzenesulfonate; 2-sulfobutanedioic acid IUPAC Name: 2-dodecylbenzenesulfonate; 2-sulfobutanedioic acid Traditional Name: 2-laurylbesylate; 2-sulfosuccinic acid Formula: C22H35O10S2- MolecularWeight: 523.6373

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C18H30O3S.C4H6O7S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;5-3(6)1-2(4(7)8)12(9,10)11/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/p-1