dilithium 3-[4,5-dimethyl-2-(3-sulfonatopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonate

Systemtic Name: dilithium 3-[4,5-dimethyl-2-(3-sulfonatopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonate Openeye Name: dilithium 3-[4,5-dimethyl-2-(3-sulfonatopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonate CAS Name: dilithium 3-[4,5-dimethyl-2-(3-sulfonatopropylsulfonyl)phenyl]sulfonyl-1-propanesulfonate IUPAC Name: dilithium 3-[4,5-dimethyl-2-(3-sulfonatopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonate Traditional Name: dilithium 3-[4,5-dimethyl-2-(3-sulfonatopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonate Formula: C14H20Li2O10S4 MolecularWeight: 490.4446

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CC1=CC(=C(C=C1C)S(=O)(=O)CCCS(=O)(=O)[O-])S(=O)(=O)CCCS(=O)(=O)[O-]

Isomeric SMILES

[Li+].[Li+].CC1=CC(=C(C=C1C)S(=O)(=O)CCCS(=O)(=O)[O-])S(=O)(=O)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C14H22O10S4.2Li/c1-11-9-13(25(15,16)5-3-7-27(19,20)21)14(10-12(11)2)26(17,18)6-4-8-28(22,23)24;;/h9-10H,3-8H2,1-2H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2