4-[2,4-dimethyl-4-(propan-2-ylideneamino)oxycarbonyl-hexan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[2,4-dimethyl-4-(propan-2-ylideneamino)oxycarbonyl-hexan-2-yl]benzenesulfonic acid Openeye Name: 4-[3-(isopropylideneamino)oxycarbonyl-1,1,3-trimethyl-pentyl]benzenesulfonic acid CAS Name: 4-[2,4-dimethyl-4-[oxo-(propan-2-ylideneamino)oxymethyl]hexan-2-yl]benzenesulfonic acid IUPAC Name: 4-[2,4-dimethyl-4-(propan-2-ylideneamino)oxycarbonylhexan-2-yl]benzenesulfonic acid Traditional Name: 4-[3-(isopropylideneamino)oxycarbonyl-1,1,3-trimethyl-pentyl]besylic acid Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O)C(=O)ON=C(C)C

Isomeric SMILES

CCC(C)(CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O)C(=O)ON=C(C)C

InChI

InChI=1S/C18H27NO5S/c1-7-18(6,16(20)24-19-13(2)3)12-17(4,5)14-8-10-15(11-9-14)25(21,22)23/h8-11H,7,12H2,1-6H3,(H,21,22,23)