sodium 5-(2-chloroethyloxysulfonyl)-2,4-dimethyl-benzenesulfonate

Systemtic Name: sodium 5-(2-chloroethyloxysulfonyl)-2,4-dimethyl-benzenesulfonate Openeye Name: sodium 5-(2-chloroethoxysulfonyl)-2,4-dimethyl-benzenesulfonate CAS Name: sodium 5-(2-chloroethoxysulfonyl)-2,4-dimethylbenzenesulfonate IUPAC Name: sodium 5-(2-chloroethoxysulfonyl)-2,4-dimethylbenzenesulfonate Traditional Name: sodium 5-(2-chloroethoxysulfonyl)-2,4-dimethyl-besylate Formula: C10H12ClNaO6S2 MolecularWeight: 350.77145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)OCCCl)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)OCCCl)C.[Na+]

InChI

InChI=1S/C10H13ClO6S2.Na/c1-7-5-8(2)10(6-9(7)18(12,13)14)19(15,16)17-4-3-11;/h5-6H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1