4-chloranylbenzenesulfonic acid; 2-(2,4,6-trimethylphenyl)benzenesulfonic acid

Systemtic Name: 4-chloranylbenzenesulfonic acid; 2-(2,4,6-trimethylphenyl)benzenesulfonic acid Openeye Name: 4-chlorobenzenesulfonic acid; 2-(2,4,6-trimethylphenyl)benzenesulfonic acid CAS Name: 4-chlorobenzenesulfonic acid; 2-(2,4,6-trimethylphenyl)benzenesulfonic acid IUPAC Name: 4-chlorobenzenesulfonic acid; 2-(2,4,6-trimethylphenyl)benzenesulfonic acid Traditional Name: 4-chlorobesylic acid; 2-mesitylbesylic acid Formula: C21H21ClO6S2 MolecularWeight: 468.97084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CC=CC=C2S(=O)(=O)O)C.C1=CC(=CC=C1S(=O)(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CC=CC=C2S(=O)(=O)O)C.C1=CC(=CC=C1S(=O)(=O)O)Cl

InChI

InChI=1S/C15H16O3S.C6H5ClO3S/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)19(16,17)18;7-5-1-3-6(4-2-5)11(8,9)10/h4-9H,1-3H3,(H,16,17,18);1-4H,(H,8,9,10)