1,4-bis[(2,6-diethylphenyl)amino]-6,7-bis(2-hydroxyethylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1,4-bis[(2,6-diethylphenyl)amino]-6,7-bis(2-hydroxyethylsulfanyl)anthracene-9,10-dione Openeye Name: 1,4-bis(2,6-diethylanilino)-6,7-bis(2-hydroxyethylsulfanyl)anthracene-9,10-dione CAS Name: 1,4-bis(2,6-diethylanilino)-6,7-bis(2-hydroxyethylthio)anthracene-9,10-dione IUPAC Name: 1,4-bis(2,6-diethylanilino)-6,7-bis(2-hydroxyethylsulfanyl)anthracene-9,10-dione Traditional Name: 1,4-bis(2,6-diethylanilino)-6,7-bis(2-hydroxyethylthio)-9,10-anthraquinone Formula: C38H42N2O4S2 MolecularWeight: 654.88108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC2=C3C(=C(C=C2)NC4=C(C=CC=C4CC)CC)C(=O)C5=CC(=C(C=C5C3=O)SCCO)SCCO

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC2=C3C(=C(C=C2)NC4=C(C=CC=C4CC)CC)C(=O)C5=CC(=C(C=C5C3=O)SCCO)SCCO

InChI

InChI=1S/C38H42N2O4S2/c1-5-23-11-9-12-24(6-2)35(23)39-29-15-16-30(40-36-25(7-3)13-10-14-26(36)8-4)34-33(29)37(43)27-21-31(45-19-17-41)32(46-20-18-42)22-28(27)38(34)44/h9-16,21-22,39-42H,5-8,17-20H2,1-4H3