calcium (E)-3-cyclohexa-2,4-dien-1-yl-1-phenyl-prop-2-en-1-one

Systemtic Name: calcium (E)-3-cyclohexa-2,4-dien-1-yl-1-phenyl-prop-2-en-1-one Openeye Name: calcium (E)-3-cyclohexa-2,4-dien-1-yl-1-phenyl-prop-2-en-1-one CAS Name: calcium (E)-3-(1-cyclohexa-2,4-dienyl)-1-phenyl-2-propen-1-one IUPAC Name: calcium (E)-3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one Traditional Name: calcium (E)-3-cyclohexa-2,4-dien-1-yl-1-phenyl-prop-2-en-1-one Formula: C15H14CaO+2 MolecularWeight: 250.34906

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1C=CC(=O)C2=CC=CC=C2.[Ca+2]

Isomeric SMILES

C1C=CC=CC1/C=C/C(=O)C2=CC=CC=C2.[Ca+2]

InChI

InChI=1S/C15H14O.Ca/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;/h1-7,9-13H,8H2;/q;+2/b12-11+;