calcium (E)-4-oxidanylidene-4-propan-2-yloxy-but-2-enoate

Systemtic Name: calcium (E)-4-oxidanylidene-4-propan-2-yloxy-but-2-enoate Openeye Name: calcium (E)-4-isopropoxy-4-oxo-but-2-enoate CAS Name: calcium (E)-4-oxo-4-propan-2-yloxy-2-butenoate IUPAC Name: calcium (E)-4-oxo-4-propan-2-yloxybut-2-enoate Traditional Name: calcium (E)-4-isopropoxy-4-keto-but-2-enoate Formula: C14H18CaO8 MolecularWeight: 354.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H10O4.Ca/c2*1-5(2)11-7(10)4-3-6(8)9;/h2*3-5H,1-2H3,(H,8,9);/q;;+2/p-2/b2*4-3+;