sodium [2-methyl-4-(oxidanidyloxymethyl)phenyl] 2-chloranylbutane-1-sulfonate

Systemtic Name: sodium [2-methyl-4-(oxidanidyloxymethyl)phenyl] 2-chloranylbutane-1-sulfonate Openeye Name: sodium [2-methyl-4-(oxidooxymethyl)phenyl] 2-chlorobutane-1-sulfonate CAS Name: sodium 2-chloro-1-butanesulfonic acid IUPAC Name: sodium [2-methyl-4-(oxidooxymethyl)phenyl] 2-chlorobutane-1-sulfonate Traditional Name: sodium 2-chlorobutane-1-sulfonic acid [2-methyl-4-(oxidooxymethyl)phenyl] ester Formula: C12H16ClNaO5S MolecularWeight: 330.76021

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS(=O)(=O)OC1=C(C=C(C=C1)CO[O-])C)Cl.[Na+]

Isomeric SMILES

CCC(CS(=O)(=O)OC1=C(C=C(C=C1)CO[O-])C)Cl.[Na+]

InChI

InChI=1S/C12H17ClO5S.Na/c1-3-11(13)8-19(15,16)18-12-5-4-10(7-17-14)6-9(12)2;/h4-6,11,14H,3,7-8H2,1-2H3;/q;+1/p-1