2-[carboxymethylsulfanyl-[4-(2-hydroxyethyloxy)-3-(sulfomethylamino)phenyl]arsanyl]sulfanylethanoic acid

Systemtic Name: 2-[carboxymethylsulfanyl-[4-(2-hydroxyethyloxy)-3-(sulfomethylamino)phenyl]arsanyl]sulfanylethanoic acid Openeye Name: 2-[carboxymethylsulfanyl-[4-(2-hydroxyethoxy)-3-(sulfomethylamino)phenyl]arsanyl]sulfanylacetic acid CAS Name: 2-[[(carboxymethylthio)-[4-(2-hydroxyethoxy)-3-(sulfomethylamino)phenyl]arsino]thio]acetic acid IUPAC Name: 2-[carboxymethylsulfanyl-[4-(2-hydroxyethoxy)-3-(sulfomethylamino)phenyl]arsanyl]sulfanylacetic acid Traditional Name: 2-[[(carboxymethylthio)-[4-(2-hydroxyethoxy)-3-(sulfomethylamino)phenyl]arsino]thio]acetic acid Formula: C13H18AsNO9S3 MolecularWeight: 503.39992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[As](SCC(=O)O)SCC(=O)O)NCS(=O)(=O)O)OCCO

Isomeric SMILES

C1=CC(=C(C=C1[As](SCC(=O)O)SCC(=O)O)NCS(=O)(=O)O)OCCO

InChI

InChI=1S/C13H18AsNO9S3/c16-3-4-24-11-2-1-9(5-10(11)15-8-27(21,22)23)14(25-6-12(17)18)26-7-13(19)20/h1-2,5,15-16H,3-4,6-8H2,(H,17,18)(H,19,20)(H,21,22,23)