tert-butyl benzoate hydrate

Systemtic Name: tert-butyl benzoate hydrate Openeye Name: tert-butyl benzoate hydrate CAS Name: benzoic acid tert-butyl ester hydrate IUPAC Name: tert-butyl benzoate hydrate Traditional Name: benzoic acid tert-butyl ester hydrate Formula: C11H16O3 MolecularWeight: 196.24294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1.O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1.O

InChI

InChI=1S/C11H14O2.H2O/c1-11(2,3)13-10(12)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2