2-sulfooxyethyl [(4-methylphenyl)carbonylamino]methanesulfinate

Systemtic Name: 2-sulfooxyethyl [(4-methylphenyl)carbonylamino]methanesulfinate Openeye Name: 2-sulfooxyethyl [(4-methylbenzoyl)amino]methanesulfinate CAS Name: [[(4-methylphenyl)-oxomethyl]amino]methanesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl [(4-methylbenzoyl)amino]methanesulfinate Traditional Name: (p-toluoylamino)methanesulfinic acid 2-sulfoxyethyl ester Formula: C11H15NO7S2 MolecularWeight: 337.3693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCS(=O)OCCOS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCS(=O)OCCOS(=O)(=O)O

InChI

InChI=1S/C11H15NO7S2/c1-9-2-4-10(5-3-9)11(13)12-8-20(14)18-6-7-19-21(15,16)17/h2-5H,6-8H2,1H3,(H,12,13)(H,15,16,17)