2-ethyldodecyl 3-sulfooxybutanoate

Systemtic Name: 2-ethyldodecyl 3-sulfooxybutanoate Openeye Name: 2-ethyldodecyl 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid 2-ethyldodecyl ester IUPAC Name: 2-ethyldodecyl 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid 2-ethyldodecyl ester Formula: C18H36O6S MolecularWeight: 380.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC)COC(=O)CC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC(CC)COC(=O)CC(C)OS(=O)(=O)O

InChI

InChI=1S/C18H36O6S/c1-4-6-7-8-9-10-11-12-13-17(5-2)15-23-18(19)14-16(3)24-25(20,21)22/h16-17H,4-15H2,1-3H3,(H,20,21,22)