bis(4-chloranyl-3-methyl-phenyl) benzene-1,3-disulfonate

Systemtic Name: bis(4-chloranyl-3-methyl-phenyl) benzene-1,3-disulfonate Openeye Name: bis(4-chloro-3-methyl-phenyl) benzene-1,3-disulfonate CAS Name: benzene-1,3-disulfonic acid bis(4-chloro-3-methylphenyl) ester IUPAC Name: bis(4-chloro-3-methylphenyl) benzene-1,3-disulfonate Traditional Name: benzene-1,3-disulfonic acid bis(4-chloro-3-methyl-phenyl) ester Formula: C20H16Cl2O6S2 MolecularWeight: 487.37344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC(=C(C=C3)Cl)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=CC(=C(C=C3)Cl)C)Cl

InChI

InChI=1S/C20H16Cl2O6S2/c1-13-10-15(6-8-19(13)21)27-29(23,24)17-4-3-5-18(12-17)30(25,26)28-16-7-9-20(22)14(2)11-16/h3-12H,1-2H3