[[3-bis[(2-azanyl-2-oxidanylidene-ethyl)sulfanyl]arsanyl-5-(2-hydroxyethyloxy)phenyl]amino]methanesulfonic acid

Systemtic Name: [[3-bis[(2-azanyl-2-oxidanylidene-ethyl)sulfanyl]arsanyl-5-(2-hydroxyethyloxy)phenyl]amino]methanesulfonic acid Openeye Name: [3-bis[(2-amino-2-oxo-ethyl)sulfanyl]arsanyl-5-(2-hydroxyethoxy)anilino]methanesulfonic acid CAS Name: [3-bis[(2-amino-2-oxoethyl)thio]arsino-5-(2-hydroxyethoxy)anilino]methanesulfonic acid IUPAC Name: [3-bis[(2-amino-2-oxoethyl)sulfanyl]arsanyl-5-(2-hydroxyethoxy)anilino]methanesulfonic acid Traditional Name: [3-bis[(2-amino-2-keto-ethyl)thio]arsino-5-(2-hydroxyethoxy)anilino]methanesulfonic acid Formula: C13H20AsN3O7S3 MolecularWeight: 501.4304

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1OCCO)[As](SCC(=O)N)SCC(=O)N)NCS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C=C1OCCO)[As](SCC(=O)N)SCC(=O)N)NCS(=O)(=O)O

InChI

InChI=1S/C13H20AsN3O7S3/c15-12(19)6-25-14(26-7-13(16)20)9-3-10(17-8-27(21,22)23)5-11(4-9)24-2-1-18/h3-5,17-18H,1-2,6-8H2,(H2,15,19)(H2,16,20)(H,21,22,23)