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4-methylbenzenesulfonic acid; 2-(thiophen-2-ylamino)propanoic acid

4-methylbenzenesulfonic acid; 2-(thiophen-2-ylamino)propanoic acid

Systemtic Name:4-methylbenzenesulfonic acid; 2-(thiophen-2-ylamino)propanoic acid
Openeye Name:4-methylbenzenesulfonic acid; 2-(2-thienylamino)propanoic acid
CAS Name:4-methylbenzenesulfonic acid; 2-(thiophen-2-ylamino)propanoic acid
IUPAC Name:4-methylbenzenesulfonic acid; 2-(thiophen-2-ylamino)propanoic acid
Traditional Name:2-(2-thienylamino)propionic acid; tosylic acid
Formula: C14H17NO5S2
MolecularWeight: 343.41848
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C(=O)O)NC1=CC=CS1


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C(=O)O)NC1=CC=CS1


InChI

InChI=1S/C7H9NO2S.C7H8O3S/c1-5(7(9)10)8-6-3-2-4-11-6;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,8H,1H3,(H,9,10);2-5H,1H3,(H,8,9,10)


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