methanesulfonic acid; 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol

Systemtic Name: methanesulfonic acid; 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol Openeye Name: methanesulfonic acid; 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol CAS Name: methanesulfonic acid; 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol IUPAC Name: methanesulfonic acid; 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol Traditional Name: mesylic acid; 7-mesyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol Formula: C12H19NO6S2 MolecularWeight: 337.41236

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C2CCNCCC2=C1)O.CS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=C2CCNCCC2=C1)O.CS(=O)(=O)O

InChI

InChI=1S/C11H15NO3S.CH4O3S/c1-16(14,15)11-7-9-3-5-12-4-2-8(9)6-10(11)13;1-5(2,3)4/h6-7,12-13H,2-5H2,1H3;1H3,(H,2,3,4)