1-oxidanylsulfonothioyl-3-[phenyl-(propanoylamino)arsanyl]-1-(propanoylamino)-1-sulfanyl-propane-2,2-disulfonic acid

Systemtic Name: 1-oxidanylsulfonothioyl-3-[phenyl-(propanoylamino)arsanyl]-1-(propanoylamino)-1-sulfanyl-propane-2,2-disulfonic acid Openeye Name: 1-hydroxysulfonothioyl-3-[phenyl-(propanoylamino)arsanyl]-1-(propanoylamino)-1-sulfanyl-propane-2,2-disulfonic acid CAS Name: 1-hydroxysulfonothioyl-1-mercapto-1-(1-oxopropylamino)-3-[(1-oxopropylamino)-phenylarsino]propane-2,2-disulfonic acid IUPAC Name: 1-hydroxysulfonothioyl-3-[phenyl-(propanoylamino)arsanyl]-1-(propanoylamino)-1-sulfanylpropane-2,2-disulfonic acid Traditional Name: 1-hydroxysulfonothioyl-1-mercapto-3-[phenyl(propionamido)arsino]-1-propionamido-propane-2,2-disulfonic acid Formula: C15H23AsN2O10S5 MolecularWeight: 626.59712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(C[As](C1=CC=CC=C1)NC(=O)CC)(S(=O)(=O)O)S(=O)(=O)O)(S)S(=O)(=S)O

Isomeric SMILES

CCC(=O)NC(C(C[As](C1=CC=CC=C1)NC(=O)CC)(S(=O)(=O)O)S(=O)(=O)O)(S)S(=O)(=S)O

InChI

InChI=1S/C15H23AsN2O10S5/c1-3-12(19)17-15(29,33(27,28)30)14(31(21,22)23,32(24,25)26)10-16(18-13(20)4-2)11-8-6-5-7-9-11/h5-9,29H,3-4,10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26)(H,27,28,30)