dilithium 4-(1-methylsulfonylpropylcarbamoyl)phthalate

Systemtic Name: dilithium 4-(1-methylsulfonylpropylcarbamoyl)phthalate Openeye Name: dilithium 4-(1-methylsulfonylpropylcarbamoyl)phthalate CAS Name: dilithium 4-[(1-methylsulfonylpropylamino)-oxomethyl]phthalate IUPAC Name: dilithium 4-(1-methylsulfonylpropylcarbamoyl)phthalate Traditional Name: dilithium 4-(1-mesylpropylcarbamoyl)phthalate Formula: C13H13Li2NO7S MolecularWeight: 341.19182

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CCC(NC(=O)C1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

[Li+].[Li+].CCC(NC(=O)C1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H15NO7S.2Li/c1-3-10(22(2,20)21)14-11(15)7-4-5-8(12(16)17)9(6-7)13(18)19;;/h4-6,10H,3H2,1-2H3,(H,14,15)(H,16,17)(H,18,19);;/q;2*+1/p-2