(3-acetyloxy-4-prop-1-en-2-yl-phenyl) ethanoate; 2-phenylethanoic acid

Systemtic Name: (3-acetyloxy-4-prop-1-en-2-yl-phenyl) ethanoate; 2-phenylethanoic acid Openeye Name: (3-acetoxy-4-isopropenyl-phenyl) acetate; 2-phenylacetic acid CAS Name: acetic acid [3-acetyloxy-4-(1-methylethenyl)phenyl] ester; 2-phenylacetic acid IUPAC Name: (3-acetyloxy-4-prop-1-en-2-ylphenyl) acetate; 2-phenylacetic acid Traditional Name: acetic acid (3-acetoxy-4-isopropenyl-phenyl) ester; 2-phenylacetic acid Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4.C8H8O2/c1-8(2)12-6-5-11(16-9(3)14)7-13(12)17-10(4)15;9-8(10)6-7-4-2-1-3-5-7/h5-7H,1H2,2-4H3;1-5H,6H2,(H,9,10)