1,4-bis(ethylsulfanyl)-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione

Systemtic Name: 1,4-bis(ethylsulfanyl)-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione Openeye Name: 1,4-bis(ethylsulfanyl)-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione CAS Name: 1,4-bis(ethylthio)-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione IUPAC Name: 1,4-bis(ethylsulfanyl)-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione Traditional Name: 1,4-bis(ethylthio)-5,8-bis(2-hydroxyethylamino)-9,10-anthraquinone Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C(=C(C=C1)SCC)C(=O)C3=C(C=CC(=C3C2=O)NCCO)NCCO

Isomeric SMILES

CCSC1=C2C(=C(C=C1)SCC)C(=O)C3=C(C=CC(=C3C2=O)NCCO)NCCO

InChI

InChI=1S/C22H26N2O4S2/c1-3-29-15-7-8-16(30-4-2)20-19(15)21(27)17-13(23-9-11-25)5-6-14(24-10-12-26)18(17)22(20)28/h5-8,23-26H,3-4,9-12H2,1-2H3