2-octadecyl-3-sulfonyl-butanedioic acid

Systemtic Name: 2-octadecyl-3-sulfonyl-butanedioic acid Openeye Name: 2-octadecyl-3-sulfonyl-butanedioic acid CAS Name: 2-octadecyl-3-sulfonylbutanedioic acid IUPAC Name: 2-octadecyl-3-sulfonylbutanedioic acid Traditional Name: 2-stearyl-3-sulfonyl-succinic acid Formula: C22H40O6S MolecularWeight: 432.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(=S(=O)=O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(=S(=O)=O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H40O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21(23)24)20(22(25)26)29(27)28/h19H,2-18H2,1H3,(H,23,24)(H,25,26)