2-(2-dodecoxy-2-oxidanylidene-ethyl)-2-(4-oxidanyl-4-oxidanylidene-2-sulfo-butanoyl)oxy-butanedioic acid

Systemtic Name: 2-(2-dodecoxy-2-oxidanylidene-ethyl)-2-(4-oxidanyl-4-oxidanylidene-2-sulfo-butanoyl)oxy-butanedioic acid Openeye Name: 2-(2-dodecoxy-2-oxo-ethyl)-2-(4-hydroxy-4-oxo-2-sulfo-butanoyl)oxy-butanedioic acid CAS Name: 2-(2-dodecoxy-2-oxoethyl)-2-(4-hydroxy-1,4-dioxo-2-sulfobutoxy)butanedioic acid IUPAC Name: 2-(2-dodecoxy-2-oxoethyl)-2-(4-hydroxy-4-oxo-2-sulfobutanoyl)oxybutanedioic acid Traditional Name: 2-(4-hydroxy-4-keto-2-sulfo-butanoyl)oxy-2-(2-keto-2-lauryloxy-ethyl)succinic acid Formula: C22H36O13S MolecularWeight: 540.57844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)OC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H36O13S/c1-2-3-4-5-6-7-8-9-10-11-12-34-19(27)15-22(21(29)30,14-18(25)26)35-20(28)16(13-17(23)24)36(31,32)33/h16H,2-15H2,1H3,(H,23,24)(H,25,26)(H,29,30)(H,31,32,33)