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1,4-dibutyl-2,3-bis[(2,6-diethylphenyl)amino]-5-oxidanyl-8-sulfanyl-anthracene-9,10-dione

1,4-dibutyl-2,3-bis[(2,6-diethylphenyl)amino]-5-oxidanyl-8-sulfanyl-anthracene-9,10-dione

Systemtic Name:1,4-dibutyl-2,3-bis[(2,6-diethylphenyl)amino]-5-oxidanyl-8-sulfanyl-anthracene-9,10-dione
Openeye Name:1,4-dibutyl-2,3-bis(2,6-diethylanilino)-5-hydroxy-8-sulfanyl-anthracene-9,10-dione
CAS Name:1,4-dibutyl-2,3-bis(2,6-diethylanilino)-5-hydroxy-8-mercaptoanthracene-9,10-dione
IUPAC Name:1,4-dibutyl-2,3-bis(2,6-diethylanilino)-5-hydroxy-8-sulfanylanthracene-9,10-dione
Traditional Name:1,4-dibutyl-2,3-bis(2,6-diethylanilino)-5-hydroxy-8-mercapto-9,10-anthraquinone
Formula: C42H50N2O3S
MolecularWeight: 662.923
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)S)O)CCCC)NC4=C(C=CC=C4CC)CC)NC5=C(C=CC=C5CC)CC


Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)S)O)CCCC)NC4=C(C=CC=C4CC)CC)NC5=C(C=CC=C5CC)CC


InChI

InChI=1S/C42H50N2O3S/c1-7-13-21-29-33-34(42(47)36-32(48)24-23-31(45)35(36)41(33)46)30(22-14-8-2)40(44-38-27(11-5)19-16-20-28(38)12-6)39(29)43-37-25(9-3)17-15-18-26(37)10-4/h15-20,23-24,43-45,48H,7-14,21-22H2,1-6H3


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