methanesulfonic acid; 4-[5-(4-methylphenyl)sulfonylpentyl]morpholine

Systemtic Name: methanesulfonic acid; 4-[5-(4-methylphenyl)sulfonylpentyl]morpholine Openeye Name: methanesulfonic acid; 4-[5-(p-tolylsulfonyl)pentyl]morpholine CAS Name: methanesulfonic acid; 4-[5-(4-methylphenyl)sulfonylpentyl]morpholine IUPAC Name: methanesulfonic acid; 4-[5-(4-methylphenyl)sulfonylpentyl]morpholine Traditional Name: mesylic acid; 4-(5-tosylpentyl)morpholine Formula: C17H29NO6S2 MolecularWeight: 407.54526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCCCN2CCOCC2.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCCCN2CCOCC2.CS(=O)(=O)O

InChI

InChI=1S/C16H25NO3S.CH4O3S/c1-15-5-7-16(8-6-15)21(18,19)14-4-2-3-9-17-10-12-20-13-11-17;1-5(2,3)4/h5-8H,2-4,9-14H2,1H3;1H3,(H,2,3,4)