2-methylidenebutanedioic acid; prop-1-en-2-ylbenzene

Systemtic Name: 2-methylidenebutanedioic acid; prop-1-en-2-ylbenzene Openeye Name: isopropenylbenzene; 2-methylenebutanedioic acid CAS Name: 2-methylenebutanedioic acid; 1-methylethenylbenzene IUPAC Name: 2-methylidenebutanedioic acid; prop-1-en-2-ylbenzene Traditional Name: isopropenylbenzene; itaconic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10.C5H6O4/c1-8(2)9-6-4-3-5-7-9;1-3(5(8)9)2-4(6)7/h3-7H,1H2,2H3;1-2H2,(H,6,7)(H,8,9)