8-[(E)-3-(2-hydroxyphenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[(E)-3-(2-hydroxyphenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(E)-3-(2-hydroxyphenyl)-3-oxo-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(E)-3-(2-hydroxyphenyl)-3-keto-prop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C18H13O6- MolecularWeight: 325.29222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C=CC(=O)C3=CC=CC=C3O)C(=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)/C=C/C(=O)C3=CC=CC=C3O)C(=O)[O-]

InChI

InChI=1S/C18H14O6/c19-15-4-2-1-3-14(15)16(20)6-5-11-7-12(18(21)22)8-13-9-23-10-24-17(11)13/h1-8,19H,9-10H2,(H,21,22)/p-1/b6-5+