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2-methylpropanoate; 5-methyl-2-propan-2-yl-phenol

2-methylpropanoate; 5-methyl-2-propan-2-yl-phenol

Systemtic Name:2-methylpropanoate; 5-methyl-2-propan-2-yl-phenol
Openeye Name:2-isopropyl-5-methyl-phenol; 2-methylpropanoate
CAS Name:2-methylpropanoate; 5-methyl-2-propan-2-ylphenol
IUPAC Name:2-methylpropanoate; 5-methyl-2-propan-2-ylphenol
Traditional Name:thymol isobutyrate
Formula: C14H21O3-
MolecularWeight: 237.31474
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)O.CC(C)C(=O)[O-]


Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)O.CC(C)C(=O)[O-]


InChI

InChI=1S/C10H14O.C4H8O2/c1-7(2)9-5-4-8(3)6-10(9)11;1-3(2)4(5)6/h4-7,11H,1-3H3;3H,1-2H3,(H,5,6)/p-1


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