calcium 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

Systemtic Name: calcium 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Openeye Name: calcium 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one CAS Name: calcium 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one IUPAC Name: calcium 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Traditional Name: calcium 3-(4-mesylphenyl)-4-phenyl-2H-furan-5-one Formula: C34H28CaO8S2+2 MolecularWeight: 668.78932

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3.CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3.[Ca+2]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3.CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3.[Ca+2]

InChI

InChI=1S/2C17H14O4S.Ca/c2*1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13;/h2*2-10H,11H2,1H3;/q;;+2