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

Systemtic Name: 2-[4-[bis(2-sulfoethylsulfanyl)arsanyl]-5-methyl-1,2-oxazol-3-yl]ethanesulfonic acid Openeye Name: 2-[4-[bis(2-sulfoethylsulfanyl)arsanyl]-5-methyl-isoxazol-3-yl]ethanesulfonic acid CAS Name: 2-[4-bis(2-sulfoethylthio)arsino-5-methyl-3-isoxazolyl]ethanesulfonic acid IUPAC Name: 2-[4-[bis(2-sulfoethylsulfanyl)arsanyl]-5-methyl-1,2-oxazol-3-yl]ethanesulfonic acid Traditional Name: 2-[4-bis(2-sulfoethylthio)arsino-5-methyl-isoxazol-3-yl]ethanesulfonic acid Formula: C10H18AsNO10S5 MolecularWeight: 547.49722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18AsNO10S5/c1-8-10(9(12-22-8)2-5-25(13,14)15)11(23-3-6-26(16,17)18)24-4-7-27(19,20)21/h2-7H2,1H3,(H,13,14,15)(H,16,17,18)(H,19,20,21)