2-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfanyl)phenol

Systemtic Name: 2-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfanyl)phenol Openeye Name: 2-methylbenzenesulfonic acid; 4-(3-morpholinopropylsulfanyl)phenol CAS Name: 2-methylbenzenesulfonic acid; 4-[3-(4-morpholinyl)propylthio]phenol IUPAC Name: 2-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfanyl)phenol Traditional Name: 2-methylbesylic acid; 4-(3-morpholinopropylthio)phenol Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.C1COCCN1CCCSC2=CC=C(C=C2)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.C1COCCN1CCCSC2=CC=C(C=C2)O

InChI

InChI=1S/C13H19NO2S.C7H8O3S/c15-12-2-4-13(5-3-12)17-11-1-6-14-7-9-16-10-8-14;1-6-4-2-3-5-7(6)11(8,9)10/h2-5,15H,1,6-11H2;2-5H,1H3,(H,8,9,10)