5-chloranyl-2-(1-phenylethoxy)benzenesulfonic acid sulfate

Systemtic Name: 5-chloranyl-2-(1-phenylethoxy)benzenesulfonic acid sulfate Openeye Name: 5-chloro-2-(1-phenylethoxy)benzenesulfonic acid sulfate CAS Name: 5-chloro-2-(1-phenylethoxy)benzenesulfonic acid sulfate IUPAC Name: 5-chloro-2-(1-phenylethoxy)benzenesulfonic acid sulfate Traditional Name: 5-chloro-2-(1-phenylethoxy)besylic acid sulfate Formula: C14H13ClO8S2-2 MolecularWeight: 408.83122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)S(=O)(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)S(=O)(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H13ClO4S.H2O4S/c1-10(11-5-3-2-4-6-11)19-13-8-7-12(15)9-14(13)20(16,17)18;1-5(2,3)4/h2-10H,1H3,(H,16,17,18);(H2,1,2,3,4)/p-2