2-octadecan-9-yloxycarbonyloxybenzenesulfonic acid

Systemtic Name: 2-octadecan-9-yloxycarbonyloxybenzenesulfonic acid Openeye Name: 2-(1-octyldecoxycarbonyloxy)benzenesulfonic acid CAS Name: 2-[octadecan-9-yloxy(oxo)methoxy]benzenesulfonic acid IUPAC Name: 2-octadecan-9-yloxycarbonyloxybenzenesulfonic acid Traditional Name: 2-(1-octyldecoxycarbonyloxy)besylic acid Formula: C25H42O6S MolecularWeight: 470.66238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)OC(=O)OC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)OC(=O)OC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C25H42O6S/c1-3-5-7-9-11-13-15-19-22(18-14-12-10-8-6-4-2)30-25(26)31-23-20-16-17-21-24(23)32(27,28)29/h16-17,20-22H,3-15,18-19H2,1-2H3,(H,27,28,29)