2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrate hydrochloride

Systemtic Name: 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrate hydrochloride Openeye Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetate hydrate hydrochloride CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrate hydrochloride IUPAC Name: 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrate hydrochloride Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetate hydrate hydrochloride Formula: C14H20ClO4- MolecularWeight: 287.7592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)[O-])O.O.Cl

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)[O-])O.O.Cl

InChI

InChI=1S/C14H18O3.ClH.H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16);1H;1H2/p-1