(E)-2-methylbut-2-enoate; prop-2-enylbenzene

Systemtic Name: (E)-2-methylbut-2-enoate; prop-2-enylbenzene Openeye Name: allylbenzene; (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoate; prop-2-enylbenzene IUPAC Name: (E)-2-methylbut-2-enoate; prop-2-enylbenzene Traditional Name: allylbenzene; (E)-2-methylbut-2-enoate Formula: C14H17O2- MolecularWeight: 217.28358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(\C)/C(=O)[O-].C=CCC1=CC=CC=C1

InChI

InChI=1S/C9H10.C5H8O2/c1-2-6-9-7-4-3-5-8-9;1-3-4(2)5(6)7/h2-5,7-8H,1,6H2;3H,1-2H3,(H,6,7)/p-1/b;4-3+