2-azanyl-3-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoic acid CAS Name: 2-amino-3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)thio]propanoic acid IUPAC Name: 2-amino-3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4,5-dihydroxy-10-keto-9H-anthracen-9-yl)thio]propionic acid Formula: C17H15NO5S MolecularWeight: 345.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2SCC(C(=O)O)N)C=CC=C3O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2SCC(C(=O)O)N)C=CC=C3O

InChI

InChI=1S/C17H15NO5S/c18-10(17(22)23)7-24-16-8-3-1-5-11(19)13(8)15(21)14-9(16)4-2-6-12(14)20/h1-6,10,16,19-20H,7,18H2,(H,22,23)