(3Z)-3-[1-(dioxidanyl)-1-methoxy-propan-2-ylidene]-1-(phenylsulfonyl)indol-1-ium

Systemtic Name: (3Z)-3-[1-(dioxidanyl)-1-methoxy-propan-2-ylidene]-1-(phenylsulfonyl)indol-1-ium Openeye Name: (3Z)-1-(benzenesulfonyl)-3-(2-hydroperoxy-2-methoxy-1-methyl-ethylidene)indol-1-ium CAS Name: (3Z)-1-(benzenesulfonyl)-3-(1-hydroperoxy-1-methoxypropan-2-ylidene)indol-1-ium IUPAC Name: (3Z)-1-(benzenesulfonyl)-3-(1-hydroperoxy-1-methoxypropan-2-ylidene)indol-1-ium Traditional Name: (3Z)-1-besyl-3-(2-hydroperoxy-2-methoxy-1-methyl-ethylidene)indol-1-ium Formula: C18H18NO5S+ MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=[N+](C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(OC)OO

Isomeric SMILES

C/C(=C\1/C=[N+](C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)/C(OC)OO

InChI

InChI=1S/C18H17NO5S/c1-13(18(23-2)24-20)16-12-19(17-11-7-6-10-15(16)17)25(21,22)14-8-4-3-5-9-14/h3-12,18H,1-2H3/p+1/b16-13+