1-(dioxidanyl)-2,2,3,3,5-pentamethyl-4,5-dihydro-1-benzothiepin-1-ium-4-ol

Systemtic Name: 1-(dioxidanyl)-2,2,3,3,5-pentamethyl-4,5-dihydro-1-benzothiepin-1-ium-4-ol Openeye Name: 1-hydroperoxy-2,2,3,3,5-pentamethyl-4,5-dihydro-1-benzothiepin-1-ium-4-ol CAS Name: 1-hydroperoxy-2,2,3,3,5-pentamethyl-4,5-dihydro-1-benzothiepin-1-ium-4-ol IUPAC Name: 1-hydroperoxy-2,2,3,3,5-pentamethyl-4,5-dihydro-1-benzothiepin-1-ium-4-ol Traditional Name: 1-hydroperoxy-2,2,3,3,5-pentamethyl-4,5-dihydro-1-benzothiepin-1-ium-4-ol Formula: C15H23O3S+ MolecularWeight: 283.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C([S+](C2=CC=CC=C12)OO)(C)C)(C)C)O

Isomeric SMILES

CC1C(C(C([S+](C2=CC=CC=C12)OO)(C)C)(C)C)O

InChI

InChI=1S/C15H22O3S/c1-10-11-8-6-7-9-12(11)19(18-17)15(4,5)14(2,3)13(10)16/h6-10,13,16H,1-5H3/p+1