calcium (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxidanidyl-phenyl]prop-2-enoate

Systemtic Name: calcium (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxidanidyl-phenyl]prop-2-enoate Openeye Name: calcium (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxido-phenyl]prop-2-enoate CAS Name: calcium (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxidophenyl]-2-propenoate IUPAC Name: calcium (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxidophenyl]prop-2-enoate Traditional Name: calcium (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxido-phenyl]acrylate Formula: C15H16CaO4 MolecularWeight: 300.36314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=CC(=C1[O-])C=CC(=O)[O-])OC)C.[Ca+2]

Isomeric SMILES

CC(=CCC1=C(C=CC(=C1[O-])/C=C/C(=O)[O-])OC)C.[Ca+2]

InChI

InChI=1S/C15H18O4.Ca/c1-10(2)4-7-12-13(19-3)8-5-11(15(12)18)6-9-14(16)17;/h4-6,8-9,18H,7H2,1-3H3,(H,16,17);/q;+2/p-2/b9-6+;