dilithium 4-(3-methylsulfonylpropylcarbamoyl)phthalate

Systemtic Name: dilithium 4-(3-methylsulfonylpropylcarbamoyl)phthalate Openeye Name: dilithium 4-(3-methylsulfonylpropylcarbamoyl)phthalate CAS Name: dilithium 4-[(3-methylsulfonylpropylamino)-oxomethyl]phthalate IUPAC Name: dilithium 4-(3-methylsulfonylpropylcarbamoyl)phthalate Traditional Name: dilithium 4-(3-mesylpropylcarbamoyl)phthalate Formula: C13H13Li2NO7S MolecularWeight: 341.19182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CS(=O)(=O)CCCNC(=O)C1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

[Li+].[Li+].CS(=O)(=O)CCCNC(=O)C1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H15NO7S.2Li/c1-22(20,21)6-2-5-14-11(15)8-3-4-9(12(16)17)10(7-8)13(18)19;;/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H,16,17)(H,18,19);;/q;2*+1/p-2