calcium 1-propan-2-yl-9H-xanthene-9-carboxylate

Systemtic Name: calcium 1-propan-2-yl-9H-xanthene-9-carboxylate Openeye Name: calcium 1-isopropyl-9H-xanthene-9-carboxylate CAS Name: calcium 1-propan-2-yl-9H-xanthene-9-carboxylate IUPAC Name: calcium 1-propan-2-yl-9H-xanthene-9-carboxylate Traditional Name: calcium 1-isopropyl-9H-xanthene-9-carboxylate Formula: C34H30CaO6 MolecularWeight: 574.6764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H16O3.Ca/c2*1-10(2)11-7-5-9-14-15(11)16(17(18)19)12-6-3-4-8-13(12)20-14;/h2*3-10,16H,1-2H3,(H,18,19);/q;;+2/p-2