sodium 3-[chloranyl-(4-methylphenyl)sulfonyl-amino]propane-1-sulfonate hydrate

Systemtic Name: sodium 3-[chloranyl-(4-methylphenyl)sulfonyl-amino]propane-1-sulfonate hydrate Openeye Name: sodium 3-[chloro(p-tolylsulfonyl)amino]propane-1-sulfonate hydrate CAS Name: sodium 3-[chloro-(4-methylphenyl)sulfonylamino]-1-propanesulfonate hydrate IUPAC Name: sodium 3-[chloro-(4-methylphenyl)sulfonylamino]propane-1-sulfonate hydrate Traditional Name: sodium 3-[chloro(tosyl)amino]propane-1-sulfonate hydrate Formula: C10H15ClNNaO6S2 MolecularWeight: 367.80197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCS(=O)(=O)[O-])Cl.O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCS(=O)(=O)[O-])Cl.O.[Na+]

InChI

InChI=1S/C10H14ClNO5S2.Na.H2O/c1-9-3-5-10(6-4-9)19(16,17)12(11)7-2-8-18(13,14)15;;/h3-6H,2,7-8H2,1H3,(H,13,14,15);;1H2/q;+1;/p-1