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2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-ol chloride

2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-ol chloride

Systemtic Name:2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-ol chloride
Openeye Name:2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-ol chloride
CAS Name:2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]-2-propanol chloride
IUPAC Name:2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-ol chloride
Traditional Name:2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-ol chloride
Formula: C18H21ClO2S
MolecularWeight: 336.87614
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[S+](O1)C3=CC=CC=C3C(C)(C)O)C.[Cl-]


Isomeric SMILES

CC1(C2=CC=CC=C2[S+](O1)C3=CC=CC=C3C(C)(C)O)C.[Cl-]


InChI

InChI=1S/C18H21O2S.ClH/c1-17(2,19)13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)18(3,4)20-21;/h5-12,19H,1-4H3;1H/q+1;/p-1


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