2-[[4-(aminocarbonylamino)phenyl]-(2-carboxyphenyl)sulfanyl-arsanyl]sulfanylbenzoic acid

Systemtic Name: 2-[[4-(aminocarbonylamino)phenyl]-(2-carboxyphenyl)sulfanyl-arsanyl]sulfanylbenzoic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanyl-(4-ureidophenyl)arsanyl]sulfanylbenzoic acid CAS Name: 2-[[[4-(carbamoylamino)phenyl]-[(2-carboxyphenyl)thio]arsino]thio]benzoic acid IUPAC Name: 2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl]sulfanylbenzoic acid Traditional Name: 2-[[[(2-carboxyphenyl)thio]-(4-ureidophenyl)arsino]thio]benzoic acid Formula: C21H17AsN2O5S2 MolecularWeight: 516.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S[As](C2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S[As](C2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H17AsN2O5S2/c23-21(29)24-14-11-9-13(10-12-14)22(30-17-7-3-1-5-15(17)19(25)26)31-18-8-4-2-6-16(18)20(27)28/h1-12H,(H,25,26)(H,27,28)(H3,23,24,29)