2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]propanoic acid; thionine

Systemtic Name: 2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]propanoic acid; thionine Openeye Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxo-propyl)disulfanyl]propanoic acid; thionine CAS Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)disulfanyl]propanoic acid; thionin IUPAC Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)disulfanyl]propanoic acid; thionine Traditional Name: 2-amino-3-[(2-amino-3-hydroxy-3-keto-propyl)disulfanyl]propionic acid; thionin Formula: C14H20N2O4S3 MolecularWeight: 376.5146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CSC=CC=C1.C(C(C(=O)O)N)SSCC(C(=O)O)N

Isomeric SMILES

C1=CC=CSC=CC=C1.C(C(C(=O)O)N)SSCC(C(=O)O)N

InChI

InChI=1S/C8H8S.C6H12N2O4S2/c1-2-4-6-8-9-7-5-3-1;7-3(5(9)10)1-13-14-2-4(8)6(11)12/h1-8H;3-4H,1-2,7-8H2,(H,9,10)(H,11,12)