(2-nonylphenyl) 2-sulfooxyoctanoate

Systemtic Name: (2-nonylphenyl) 2-sulfooxyoctanoate Openeye Name: (2-nonylphenyl) 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid (2-nonylphenyl) ester IUPAC Name: (2-nonylphenyl) 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid (2-nonylphenyl) ester Formula: C23H38O6S MolecularWeight: 442.60922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)C(CCCCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)C(CCCCCC)OS(=O)(=O)O

InChI

InChI=1S/C23H38O6S/c1-3-5-7-9-10-11-12-16-20-17-14-15-18-21(20)28-23(24)22(29-30(25,26)27)19-13-8-6-4-2/h14-15,17-18,22H,3-13,16,19H2,1-2H3,(H,25,26,27)