4-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfinyl)phenol

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfinyl)phenol Openeye Name: 4-methylbenzenesulfonic acid; 4-(3-morpholinopropylsulfinyl)phenol CAS Name: 4-methylbenzenesulfonic acid; 4-[3-(4-morpholinyl)propylsulfinyl]phenol IUPAC Name: 4-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfinyl)phenol Traditional Name: 4-(3-morpholinopropylsulfinyl)phenol; tosylic acid Formula: C20H27NO6S2 MolecularWeight: 441.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCCS(=O)C2=CC=C(C=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCCS(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H19NO3S.C7H8O3S/c15-12-2-4-13(5-3-12)18(16)11-1-6-14-7-9-17-10-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,15H,1,6-11H2;2-5H,1H3,(H,8,9,10)