2,2-dioctyl-3-sulfo-butanedioic acid

Systemtic Name: 2,2-dioctyl-3-sulfo-butanedioic acid Openeye Name: 2,2-dioctyl-3-sulfo-butanedioic acid CAS Name: 2,2-dioctyl-3-sulfobutanedioic acid IUPAC Name: 2,2-dioctyl-3-sulfobutanedioic acid Traditional Name: 2,2-dioctyl-3-sulfo-succinic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H38O7S/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/h17H,3-16H2,1-2H3,(H,21,22)(H,23,24)(H,25,26,27)