sodium 5-(2-chloroethyloxysulfonyl)-2-methyl-benzenesulfonate

Systemtic Name: sodium 5-(2-chloroethyloxysulfonyl)-2-methyl-benzenesulfonate Openeye Name: sodium 5-(2-chloroethoxysulfonyl)-2-methyl-benzenesulfonate CAS Name: sodium 5-(2-chloroethoxysulfonyl)-2-methylbenzenesulfonate IUPAC Name: sodium 5-(2-chloroethoxysulfonyl)-2-methylbenzenesulfonate Traditional Name: sodium 5-(2-chloroethoxysulfonyl)-2-methyl-besylate Formula: C9H10ClNaO6S2 MolecularWeight: 336.74487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OCCCl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OCCCl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H11ClO6S2.Na/c1-7-2-3-8(6-9(7)17(11,12)13)18(14,15)16-5-4-10;/h2-3,6H,4-5H2,1H3,(H,11,12,13);/q;+1/p-1