1-azanyl-2-(2-azanylethylsulfanyl)-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-(2-azanylethylsulfanyl)-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-(2-aminoethylsulfanyl)-4-hydroxy-anthracene-9,10-dione CAS Name: 1-amino-2-(2-aminoethylthio)-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-amino-2-(2-aminoethylsulfanyl)-4-hydroxyanthracene-9,10-dione Traditional Name: 1-amino-2-(2-aminoethylthio)-4-hydroxy-9,10-anthraquinone Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SCCN)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SCCN)N

InChI

InChI=1S/C16H14N2O3S/c17-5-6-22-11-7-10(19)12-13(14(11)18)16(21)9-4-2-1-3-8(9)15(12)20/h1-4,7,19H,5-6,17-18H2