chromen-2-one; (E)-3-phenylprop-2-enoate

Systemtic Name: chromen-2-one; (E)-3-phenylprop-2-enoate Openeye Name: chromen-2-one; (E)-3-phenylprop-2-enoate CAS Name: 1-benzopyran-2-one; (E)-3-phenyl-2-propenoate IUPAC Name: chromen-2-one; (E)-3-phenylprop-2-enoate Traditional Name: coumarin; (E)-3-phenylacrylate Formula: C18H13O4- MolecularWeight: 293.29342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)O2

InChI

InChI=1S/C9H6O2.C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;10-9(11)7-6-8-4-2-1-3-5-8/h1-6H;1-7H,(H,10,11)/p-1/b;7-6+