5-[diethyl(sulfinato)azaniumyl]-2-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)-1,3-benzodioxole

Systemtic Name: 5-[diethyl(sulfinato)azaniumyl]-2-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)-1,3-benzodioxole Openeye Name: 2-(1-carboxypropyl)-5-[diethyl(sulfinato)ammonio]-2-methyl-1,3-benzodioxole CAS Name: 5-[diethyl(sulfinato)ammonio]-2-(1-hydroxy-1-oxobutan-2-yl)-2-methyl-1,3-benzodioxole IUPAC Name: 5-[diethyl(sulfinato)azaniumyl]-2-(1-hydroxy-1-oxobutan-2-yl)-2-methyl-1,3-benzodioxole Traditional Name: 2-(1-carboxypropyl)-5-[diethyl(sulfinato)ammonio]-2-methyl-1,3-benzodioxole Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C1(OC2=C(O1)C=C(C=C2)[N+](CC)(CC)S(=O)[O-])C

Isomeric SMILES

CCC(C(=O)O)C1(OC2=C(O1)C=C(C=C2)[N+](CC)(CC)S(=O)[O-])C

InChI

InChI=1S/C16H23NO6S/c1-5-12(15(18)19)16(4)22-13-9-8-11(10-14(13)23-16)17(6-2,7-3)24(20)21/h8-10,12H,5-7H2,1-4H3,(H-,18,19,20,21)