[6-methyl-2-oxidanyl-3-[2-(phenylmethyl)oxiran-2-yl]phenyl] ethanoate; 2-methylpropanoate

Systemtic Name: [6-methyl-2-oxidanyl-3-[2-(phenylmethyl)oxiran-2-yl]phenyl] ethanoate; 2-methylpropanoate Openeye Name: [3-(2-benzyloxiran-2-yl)-2-hydroxy-6-methyl-phenyl] acetate; 2-methylpropanoate CAS Name: acetic acid [2-hydroxy-6-methyl-3-[2-(phenylmethyl)-2-oxiranyl]phenyl] ester; 2-methylpropanoate IUPAC Name: [3-(2-benzyloxiran-2-yl)-2-hydroxy-6-methylphenyl] acetate; 2-methylpropanoate Traditional Name: acetic acid [3-(2-benzyloxiran-2-yl)-2-hydroxy-6-methyl-phenyl] ester isobutyrate Formula: C22H25O6- MolecularWeight: 385.4303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2(CO2)CC3=CC=CC=C3)O)OC(=O)C.CC(C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C2(CO2)CC3=CC=CC=C3)O)OC(=O)C.CC(C)C(=O)[O-]

InChI

InChI=1S/C18H18O4.C4H8O2/c1-12-8-9-15(16(20)17(12)22-13(2)19)18(11-21-18)10-14-6-4-3-5-7-14;1-3(2)4(5)6/h3-9,20H,10-11H2,1-2H3;3H,1-2H3,(H,5,6)/p-1