2-[4-[bis(2-azanylethylsulfanyl)arsanyl]-5-methyl-1,2-oxazol-3-yl]ethanesulfonic acid

Systemtic Name: 2-[4-[bis(2-azanylethylsulfanyl)arsanyl]-5-methyl-1,2-oxazol-3-yl]ethanesulfonic acid Openeye Name: 2-[4-[bis(2-aminoethylsulfanyl)arsanyl]-5-methyl-isoxazol-3-yl]ethanesulfonic acid CAS Name: 2-[4-bis(2-aminoethylthio)arsino-5-methyl-3-isoxazolyl]ethanesulfonic acid IUPAC Name: 2-[4-[bis(2-aminoethylsulfanyl)arsanyl]-5-methyl-1,2-oxazol-3-yl]ethanesulfonic acid Traditional Name: 2-[4-bis(2-aminoethylthio)arsino-5-methyl-isoxazol-3-yl]ethanesulfonic acid Formula: C10H20AsN3O4S3 MolecularWeight: 417.4001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)CCS(=O)(=O)O)[As](SCCN)SCCN

Isomeric SMILES

CC1=C(C(=NO1)CCS(=O)(=O)O)[As](SCCN)SCCN

InChI

InChI=1S/C10H20AsN3O4S3/c1-8-10(11(19-5-3-12)20-6-4-13)9(14-18-8)2-7-21(15,16)17/h2-7,12-13H2,1H3,(H,15,16,17)