2-(6-azanylhexanoyloxy)-3-decanoyl-benzenesulfonic acid

Systemtic Name: 2-(6-azanylhexanoyloxy)-3-decanoyl-benzenesulfonic acid Openeye Name: 2-(6-aminohexanoyloxy)-3-decanoyl-benzenesulfonic acid CAS Name: 2-(6-amino-1-oxohexoxy)-3-(1-oxodecyl)benzenesulfonic acid IUPAC Name: 2-(6-aminohexanoyloxy)-3-decanoylbenzenesulfonic acid Traditional Name: 2-(6-aminohexanoyloxy)-3-capryl-besylic acid Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)OC(=O)CCCCCN

Isomeric SMILES

CCCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)OC(=O)CCCCCN

InChI

InChI=1S/C22H35NO6S/c1-2-3-4-5-6-7-9-14-19(24)18-13-12-15-20(30(26,27)28)22(18)29-21(25)16-10-8-11-17-23/h12-13,15H,2-11,14,16-17,23H2,1H3,(H,26,27,28)