2-[(3-chlorophenyl)methyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[(3-chlorophenyl)methyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[(3-chlorophenyl)methyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonic acid Traditional Name: 2-(3-chlorobenzyl)-4-methyl-besylic acid Formula: C14H13ClO3S MolecularWeight: 296.76922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H13ClO3S/c1-10-5-6-14(19(16,17)18)12(7-10)8-11-3-2-4-13(15)9-11/h2-7,9H,8H2,1H3,(H,16,17,18)