8-methylnonyl 9-sulfooxyoctadecanoate

Systemtic Name: 8-methylnonyl 9-sulfooxyoctadecanoate Openeye Name: 8-methylnonyl 9-sulfooxyoctadecanoate CAS Name: 9-sulfooxyoctadecanoic acid 8-methylnonyl ester IUPAC Name: 8-methylnonyl 9-sulfooxyoctadecanoate Traditional Name: 9-sulfoxystearic acid 8-methylnonyl ester Formula: C28H56O6S MolecularWeight: 520.80564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OCCCCCCCC(C)C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OCCCCCCCC(C)C)OS(=O)(=O)O

InChI

InChI=1S/C28H56O6S/c1-4-5-6-7-8-12-17-22-27(34-35(30,31)32)23-18-13-9-14-19-24-28(29)33-25-20-15-10-11-16-21-26(2)3/h26-27H,4-25H2,1-3H3,(H,30,31,32)