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1-[3-oxidanylidene-4-(1-sulfoethyl)piperazin-1-yl]ethanesulfonic acid

1-[3-oxidanylidene-4-(1-sulfoethyl)piperazin-1-yl]ethanesulfonic acid

Systemtic Name:1-[3-oxidanylidene-4-(1-sulfoethyl)piperazin-1-yl]ethanesulfonic acid
Openeye Name:1-[3-oxo-4-(1-sulfoethyl)piperazin-1-yl]ethanesulfonic acid
CAS Name:1-[3-oxo-4-(1-sulfoethyl)-1-piperazinyl]ethanesulfonic acid
IUPAC Name:1-[3-oxo-4-(1-sulfoethyl)piperazin-1-yl]ethanesulfonic acid
Traditional Name:1-[3-keto-4-(1-sulfoethyl)piperazino]ethanesulfonic acid
Formula: C8H16N2O7S2
MolecularWeight: 316.35184
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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(C(=O)C1)C(C)S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

CC(N1CCN(C(=O)C1)C(C)S(=O)(=O)O)S(=O)(=O)O


InChI

InChI=1S/C8H16N2O7S2/c1-6(18(12,13)14)9-3-4-10(8(11)5-9)7(2)19(15,16)17/h6-7H,3-5H2,1-2H3,(H,12,13,14)(H,15,16,17)


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