2,2,3,3,5-pentamethyl-1-oxidanidyloxy-4,5-dihydro-1-benzothiepin-1-ium-4-ol

Systemtic Name: 2,2,3,3,5-pentamethyl-1-oxidanidyloxy-4,5-dihydro-1-benzothiepin-1-ium-4-ol Openeye Name: 2,2,3,3,5-pentamethyl-1-oxidooxy-4,5-dihydro-1-benzothiepin-1-ium-4-ol CAS Name: 2,2,3,3,5-pentamethyl-1-oxidooxy-4,5-dihydro-1-benzothiepin-1-ium-4-ol IUPAC Name: 2,2,3,3,5-pentamethyl-1-oxidooxy-4,5-dihydro-1-benzothiepin-1-ium-4-ol Traditional Name: 2,2,3,3,5-pentamethyl-1-oxidooxy-4,5-dihydro-1-benzothiepin-1-ium-4-ol Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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