2-[2,4-bis(azanyl)-5-(2-carboxyethylsulfanyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[2,4-bis(azanyl)-5-(2-carboxyethylsulfanyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[2,4-diamino-5-(2-carboxyethylsulfanyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[2,4-diamino-5-(2-carboxyethylthio)phenyl]thio]benzoic acid IUPAC Name: 2-[2,4-diamino-5-(2-carboxyethylsulfanyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[[2,4-diamino-5-(2-carboxyethylthio)phenyl]thio]benzoic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC(=C(C=C2N)N)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC(=C(C=C2N)N)SCCC(=O)O

InChI

InChI=1S/C16H16N2O4S2/c17-10-7-11(18)14(8-13(10)23-6-5-15(19)20)24-12-4-2-1-3-9(12)16(21)22/h1-4,7-8H,5-6,17-18H2,(H,19,20)(H,21,22)