4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-keto-prop-1-enyl]benzoate Formula: C17H11O5- MolecularWeight: 295.26624

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H12O5/c18-14(13-6-8-15-16(9-13)22-10-21-15)7-3-11-1-4-12(5-2-11)17(19)20/h1-9H,10H2,(H,19,20)/p-1/b7-3+