4-methylbenzenesulfonic acid; 3-phenylpropan-1-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 3-phenylpropan-1-ol Openeye Name: 4-methylbenzenesulfonic acid; 3-phenylpropan-1-ol CAS Name: 4-methylbenzenesulfonic acid; 3-phenyl-1-propanol IUPAC Name: 4-methylbenzenesulfonic acid; 3-phenylpropan-1-ol Traditional Name: 3-phenylpropan-1-ol; tosylic acid Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O.C7H8O3S/c10-8-4-7-9-5-2-1-3-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,10H,4,7-8H2;2-5H,1H3,(H,8,9,10)