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2-ethyl-3-methyl-3-phenyl-oxirane-2-carboxylate; 2-phenylbutanoate

2-ethyl-3-methyl-3-phenyl-oxirane-2-carboxylate; 2-phenylbutanoate

Systemtic Name:2-ethyl-3-methyl-3-phenyl-oxirane-2-carboxylate; 2-phenylbutanoate
Openeye Name:2-ethyl-3-methyl-3-phenyl-oxirane-2-carboxylate; 2-phenylbutanoate
CAS Name:2-ethyl-3-methyl-3-phenyl-2-oxiranecarboxylate; 2-phenylbutanoate
IUPAC Name:2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate; 2-phenylbutanoate
Traditional Name:2-ethyl-3-methyl-3-phenyl-oxirane-2-carboxylate; 2-phenylbutyrate
Formula: C22H24O5-2
MolecularWeight: 368.42296
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)[O-].CCC1(C(O1)(C)C2=CC=CC=C2)C(=O)[O-]


Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)[O-].CCC1(C(O1)(C)C2=CC=CC=C2)C(=O)[O-]


InChI

InChI=1S/C12H14O3.C10H12O2/c1-3-12(10(13)14)11(2,15-12)9-7-5-4-6-8-9;1-2-9(10(11)12)8-6-4-3-5-7-8/h4-8H,3H2,1-2H3,(H,13,14);3-7,9H,2H2,1H3,(H,11,12)/p-2


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