2-sulfooxyethyl 3-(methylamino)benzenesulfinate

Systemtic Name: 2-sulfooxyethyl 3-(methylamino)benzenesulfinate Openeye Name: 2-sulfooxyethyl 3-(methylamino)benzenesulfinate CAS Name: 3-(methylamino)benzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 3-(methylamino)benzenesulfinate Traditional Name: 3-(methylamino)benzenesulfinic acid 2-sulfoxyethyl ester Formula: C9H13NO6S2 MolecularWeight: 295.33262

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=CC=C1)S(=O)OCCOS(=O)(=O)O

Isomeric SMILES

CNC1=CC(=CC=C1)S(=O)OCCOS(=O)(=O)O

InChI

InChI=1S/C9H13NO6S2/c1-10-8-3-2-4-9(7-8)17(11)15-5-6-16-18(12,13)14/h2-4,7,10H,5-6H2,1H3,(H,12,13,14)