calcium (Z)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: calcium (Z)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: calcium (Z)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: calcium (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate IUPAC Name: calcium (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: calcium (Z)-3-(4-hydroxy-3-methoxy-phenyl)acrylate Formula: C20H18CaO8 MolecularWeight: 426.43012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)[O-])O.COC1=C(C=CC(=C1)C=CC(=O)[O-])O.[Ca+2]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\C(=O)[O-])O.COC1=C(C=CC(=C1)/C=C\C(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C10H10O4.Ca/c2*1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2*2-6,11H,1H3,(H,12,13);/q;;+2/p-2/b2*5-3-;