1-(dioxidanyl)-5-ethyl-2,2,3,3,4,4,5-heptamethyl-1-benzothiepin-1-ium

Systemtic Name: 1-(dioxidanyl)-5-ethyl-2,2,3,3,4,4,5-heptamethyl-1-benzothiepin-1-ium Openeye Name: 5-ethyl-1-hydroperoxy-2,2,3,3,4,4,5-heptamethyl-1-benzothiepin-1-ium CAS Name: 5-ethyl-1-hydroperoxy-2,2,3,3,4,4,5-heptamethyl-1-benzothiepin-1-ium IUPAC Name: 5-ethyl-1-hydroperoxy-2,2,3,3,4,4,5-heptamethyl-1-benzothiepin-1-ium Traditional Name: 5-ethyl-1-hydroperoxy-2,2,3,3,4,4,5-heptamethyl-1-benzothiepin-1-ium Formula: C19H31O2S+ MolecularWeight: 323.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2[S+](C(C(C1(C)C)(C)C)(C)C)OO)C

Isomeric SMILES

CCC1(C2=CC=CC=C2[S+](C(C(C1(C)C)(C)C)(C)C)OO)C

InChI

InChI=1S/C19H30O2S/c1-9-19(8)14-12-10-11-13-15(14)22(21-20)18(6,7)16(2,3)17(19,4)5/h10-13H,9H2,1-8H3/p+1