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

Systemtic Name: cyclohexyl 2-oxidanyl-2-phenyl-ethanoate hydrate hydrochloride Openeye Name: cyclohexyl 2-hydroxy-2-phenyl-acetate hydrate hydrochloride CAS Name: 2-hydroxy-2-phenylacetic acid cyclohexyl ester hydrate hydrochloride IUPAC Name: cyclohexyl 2-hydroxy-2-phenylacetate hydrate hydrochloride Traditional Name: 2-hydroxy-2-phenyl-acetic acid cyclohexyl ester hydrate hydrochloride Formula: C14H21ClO4 MolecularWeight: 288.76714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)O.O.Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)O.O.Cl

InChI

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