2-[bis[3,5-bis(chloranyl)-2-methoxy-phenyl]methyl]-5-chloranyl-benzenesulfonate

Systemtic Name: 2-[bis[3,5-bis(chloranyl)-2-methoxy-phenyl]methyl]-5-chloranyl-benzenesulfonate Openeye Name: 2-[bis(3,5-dichloro-2-methoxy-phenyl)methyl]-5-chloro-benzenesulfonate CAS Name: 2-[bis(3,5-dichloro-2-methoxyphenyl)methyl]-5-chlorobenzenesulfonate IUPAC Name: 2-[bis(3,5-dichloro-2-methoxyphenyl)methyl]-5-chlorobenzenesulfonate Traditional Name: 2-[bis(3,5-dichloro-2-methoxy-phenyl)methyl]-5-chloro-besylate Formula: C21H14Cl5O5S- MolecularWeight: 555.66286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(C2=C(C=C(C=C2)Cl)S(=O)(=O)[O-])C3=CC(=CC(=C3OC)Cl)Cl)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(C2=C(C=C(C=C2)Cl)S(=O)(=O)[O-])C3=CC(=CC(=C3OC)Cl)Cl)Cl)Cl

InChI

InChI=1S/C21H15Cl5O5S/c1-30-20-14(5-11(23)7-16(20)25)19(15-6-12(24)8-17(26)21(15)31-2)13-4-3-10(22)9-18(13)32(27,28)29/h3-9,19H,1-2H3,(H,27,28,29)/p-1