calcium 1-ethyl-9H-xanthene-9-carboxylate

Systemtic Name: calcium 1-ethyl-9H-xanthene-9-carboxylate Openeye Name: calcium 1-ethyl-9H-xanthene-9-carboxylate CAS Name: calcium 1-ethyl-9H-xanthene-9-carboxylate IUPAC Name: calcium 1-ethyl-9H-xanthene-9-carboxylate Traditional Name: calcium 1-ethyl-9H-xanthene-9-carboxylate Formula: C32H26CaO6 MolecularWeight: 546.62324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(C3=CC=CC=C3OC2=CC=C1)C(=O)[O-].CCC1=C2C(C3=CC=CC=C3OC2=CC=C1)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCC1=C2C(C3=CC=CC=C3OC2=CC=C1)C(=O)[O-].CCC1=C2C(C3=CC=CC=C3OC2=CC=C1)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H14O3.Ca/c2*1-2-10-6-5-9-13-14(10)15(16(17)18)11-7-3-4-8-12(11)19-13;/h2*3-9,15H,2H2,1H3,(H,17,18);/q;;+2/p-2