4-[1-(methylaminooxy)-1,8-bis(oxidanylidene)pentadecan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[1-(methylaminooxy)-1,8-bis(oxidanylidene)pentadecan-2-yl]benzenesulfonic acid Openeye Name: 4-[1-(methylaminooxycarbonyl)-7-oxo-tetradecyl]benzenesulfonic acid CAS Name: 4-[1-(methylaminooxy)-1,8-dioxopentadecan-2-yl]benzenesulfonic acid IUPAC Name: 4-[1-(methylaminooxy)-1,8-dioxopentadecan-2-yl]benzenesulfonic acid Traditional Name: 4-[7-keto-1-(methylaminooxycarbonyl)tetradecyl]besylic acid Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCCCCC(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)ONC

Isomeric SMILES

CCCCCCCC(=O)CCCCCC(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)ONC

InChI

InChI=1S/C22H35NO6S/c1-3-4-5-6-8-11-19(24)12-9-7-10-13-21(22(25)29-23-2)18-14-16-20(17-15-18)30(26,27)28/h14-17,21,23H,3-13H2,1-2H3,(H,26,27,28)