4-methylbenzenesulfonic acid; 4-(methylsulfonylmethyl)phenol

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(methylsulfonylmethyl)phenol Openeye Name: 4-methylbenzenesulfonic acid; 4-(methylsulfonylmethyl)phenol CAS Name: 4-methylbenzenesulfonic acid; 4-(methylsulfonylmethyl)phenol IUPAC Name: 4-methylbenzenesulfonic acid; 4-(methylsulfonylmethyl)phenol Traditional Name: 4-(mesylmethyl)phenol; tosylic acid Formula: C15H18O6S2 MolecularWeight: 358.42982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O3S.C7H8O3S/c1-12(10,11)6-7-2-4-8(9)5-3-7;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,9H,6H2,1H3;2-5H,1H3,(H,8,9,10)