[(1E,3E)-4-[bis(2-hydroxyethyl)amino]-1-methylsulfinyl-buta-1,3-dienyl] benzenesulfinate

Systemtic Name: [(1E,3E)-4-[bis(2-hydroxyethyl)amino]-1-methylsulfinyl-buta-1,3-dienyl] benzenesulfinate Openeye Name: [(1E,3E)-4-[bis(2-hydroxyethyl)amino]-1-methylsulfinyl-buta-1,3-dienyl] benzenesulfinate CAS Name: benzenesulfinic acid [(1E,3E)-4-[bis(2-hydroxyethyl)amino]-1-methylsulfinylbuta-1,3-dienyl] ester IUPAC Name: [(1E,3E)-4-[bis(2-hydroxyethyl)amino]-1-methylsulfinylbuta-1,3-dienyl] benzenesulfinate Traditional Name: benzenesulfinic acid [(1E,3E)-4-[bis(2-hydroxyethyl)amino]-1-methylsulfinyl-buta-1,3-dienyl] ester Formula: C15H21NO5S2 MolecularWeight: 359.46094

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C(=CC=CN(CCO)CCO)OS(=O)C1=CC=CC=C1

Isomeric SMILES

CS(=O)/C(=C/C=C/N(CCO)CCO)/OS(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H21NO5S2/c1-22(19)15(8-5-9-16(10-12-17)11-13-18)21-23(20)14-6-3-2-4-7-14/h2-9,17-18H,10-13H2,1H3/b9-5+,15-8+