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(2-decylphenyl) 2-sulfooxyoctanoate

Systemtic Name:	(2-decylphenyl) 2-sulfooxyoctanoate
Openeye Name:	(2-decylphenyl) 2-sulfooxyoctanoate
CAS Name:	2-sulfooxyoctanoic acid (2-decylphenyl) ester
IUPAC Name:	(2-decylphenyl) 2-sulfooxyoctanoate
Traditional Name:	2-sulfoxycaprylic acid (2-decylphenyl) ester
Formula:	C₂₄H₄₀O₆S
MolecularWeight:	456.6358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=CC=C1OC(=O)C(CCCCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=CC=C1OC(=O)C(CCCCCC)OS(=O)(=O)O

InChI

InChI=1S/C24H40O6S/c1-3-5-7-9-10-11-12-13-17-21-18-15-16-19-22(21)29-24(25)23(30-31(26,27)28)20-14-8-6-4-2/h15-16,18-19,23H,3-14,17,20H2,1-2H3,(H,26,27,28)

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