benzoic acid; phenethyl prop-2-enoate

Systemtic Name: benzoic acid; phenethyl prop-2-enoate Openeye Name: benzoic acid; phenethyl prop-2-enoate CAS Name: benzoic acid; 2-propenoic acid phenethyl ester IUPAC Name: benzoic acid; phenethyl prop-2-enoate Traditional Name: acrylic acid phenethyl ester; benzoic acid Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C=CC(=O)OCCC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H12O2.C7H6O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;8-7(9)6-4-2-1-3-5-6/h2-7H,1,8-9H2;1-5H,(H,8,9)