2-phenylpropan-2-yl 2-methyl-6-oxidanyl-benzoate hydrate

Systemtic Name: 2-phenylpropan-2-yl 2-methyl-6-oxidanyl-benzoate hydrate Openeye Name: (1-methyl-1-phenyl-ethyl) 2-hydroxy-6-methyl-benzoate hydrate CAS Name: 2-hydroxy-6-methylbenzoic acid 2-phenylpropan-2-yl ester hydrate IUPAC Name: 2-phenylpropan-2-yl 2-hydroxy-6-methylbenzoate hydrate Traditional Name: 2-hydroxy-6-methyl-benzoic acid cumyl ester hydrate Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)O)C(=O)OC(C)(C)C2=CC=CC=C2.O

Isomeric SMILES

CC1=C(C(=CC=C1)O)C(=O)OC(C)(C)C2=CC=CC=C2.O

InChI

InChI=1S/C17H18O3.H2O/c1-12-8-7-11-14(18)15(12)16(19)20-17(2,3)13-9-5-4-6-10-13;/h4-11,18H,1-3H3;1H2