1,4-bis(azanyl)-3-(1-hydroxyethyl)-2-phenoxy-5-sulfanyl-anthracene-9,10-dione

Systemtic Name: 1,4-bis(azanyl)-3-(1-hydroxyethyl)-2-phenoxy-5-sulfanyl-anthracene-9,10-dione Openeye Name: 1,4-diamino-3-(1-hydroxyethyl)-2-phenoxy-5-sulfanyl-anthracene-9,10-dione CAS Name: 1,4-diamino-3-(1-hydroxyethyl)-5-mercapto-2-phenoxyanthracene-9,10-dione IUPAC Name: 1,4-diamino-3-(1-hydroxyethyl)-2-phenoxy-5-sulfanylanthracene-9,10-dione Traditional Name: 1,4-diamino-3-(1-hydroxyethyl)-5-mercapto-2-phenoxy-9,10-anthraquinone Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C2=C(C(=C1OC3=CC=CC=C3)N)C(=O)C4=C(C2=O)C(=CC=C4)S)N)O

Isomeric SMILES

CC(C1=C(C2=C(C(=C1OC3=CC=CC=C3)N)C(=O)C4=C(C2=O)C(=CC=C4)S)N)O

InChI

InChI=1S/C22H18N2O4S/c1-10(25)14-18(23)16-17(19(24)22(14)28-11-6-3-2-4-7-11)20(26)12-8-5-9-13(29)15(12)21(16)27/h2-10,25,29H,23-24H2,1H3