2-ethylhexyl 2-sulfooxyoctanoate

Systemtic Name: 2-ethylhexyl 2-sulfooxyoctanoate Openeye Name: 2-ethylhexyl 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid 2-ethylhexyl ester Formula: C16H32O6S MolecularWeight: 352.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC(CC)CCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)OCC(CC)CCCC)OS(=O)(=O)O

InChI

InChI=1S/C16H32O6S/c1-4-7-9-10-12-15(22-23(18,19)20)16(17)21-13-14(6-3)11-8-5-2/h14-15H,4-13H2,1-3H3,(H,18,19,20)