1,4-bis[(4-butylphenyl)amino]-5,8-bis[(4-butylphenyl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,4-bis[(4-butylphenyl)amino]-5,8-bis[(4-butylphenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4-bis(4-butylanilino)-5,8-bis[(4-butylphenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4-bis(4-butylanilino)-5,8-bis[(4-butylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,4-bis(4-butylanilino)-5,8-bis[(4-butylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4-bis(4-butylanilino)-5,8-bis[(4-butylphenyl)thio]-9,10-anthraquinone Formula: C54H58N2O2S2 MolecularWeight: 831.18052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)CCCC)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC=C(C=C6)CCCC)SC7=CC=C(C=C7)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)CCCC)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC=C(C=C6)CCCC)SC7=CC=C(C=C7)CCCC

InChI

InChI=1S/C54H58N2O2S2/c1-5-9-13-37-17-25-41(26-18-37)55-45-33-34-46(56-42-27-19-38(20-28-42)14-10-6-2)50-49(45)53(57)51-47(59-43-29-21-39(22-30-43)15-11-7-3)35-36-48(52(51)54(50)58)60-44-31-23-40(24-32-44)16-12-8-4/h17-36,55-56H,5-16H2,1-4H3