3-chloranyl-4-methyl-benzenesulfonic acid; phenol

Systemtic Name: 3-chloranyl-4-methyl-benzenesulfonic acid; phenol Openeye Name: 3-chloro-4-methyl-benzenesulfonic acid; phenol CAS Name: 3-chloro-4-methylbenzenesulfonic acid; phenol IUPAC Name: 3-chloro-4-methylbenzenesulfonic acid; phenol Traditional Name: 3-chloro-4-methyl-besylic acid; phenol Formula: C13H13ClO4S MolecularWeight: 300.75792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)Cl.C1=CC=C(C=C1)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)Cl.C1=CC=C(C=C1)O

InChI

InChI=1S/C7H7ClO3S.C6H6O/c1-5-2-3-6(4-7(5)8)12(9,10)11;7-6-4-2-1-3-5-6/h2-4H,1H3,(H,9,10,11);1-5,7H