2-methylidenebutanedioic acid; (phenylmethyl) 2-methylprop-2-enoate

Systemtic Name: 2-methylidenebutanedioic acid; (phenylmethyl) 2-methylprop-2-enoate Openeye Name: benzyl 2-methylprop-2-enoate; 2-methylenebutanedioic acid CAS Name: 2-methylenebutanedioic acid; 2-methyl-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methylprop-2-enoate; 2-methylidenebutanedioic acid Traditional Name: itaconic acid; 2-methylacrylic acid benzyl ester Formula: C16H18O6 MolecularWeight: 306.31052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCC1=CC=CC=C1.C=C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=C)C(=O)OCC1=CC=CC=C1.C=C(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H12O2.C5H6O4/c1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-3(5(8)9)2-4(6)7/h3-7H,1,8H2,2H3;1-2H2,(H,6,7)(H,8,9)