1,4-bis[(4-tert-butylphenyl)amino]-5-ethyl-8-(3-ethylsulfanylphenyl)sulfanyl-anthracene-9,10-dione

Systemtic Name: 1,4-bis[(4-tert-butylphenyl)amino]-5-ethyl-8-(3-ethylsulfanylphenyl)sulfanyl-anthracene-9,10-dione Openeye Name: 1,4-bis(4-tert-butylanilino)-5-ethyl-8-(3-ethylsulfanylphenyl)sulfanyl-anthracene-9,10-dione CAS Name: 1,4-bis(4-tert-butylanilino)-5-ethyl-8-[[3-(ethylthio)phenyl]thio]anthracene-9,10-dione IUPAC Name: 1,4-bis(4-tert-butylanilino)-5-ethyl-8-(3-ethylsulfanylphenyl)sulfanylanthracene-9,10-dione Traditional Name: 1,4-bis(4-tert-butylanilino)-5-ethyl-8-[[3-(ethylthio)phenyl]thio]-9,10-anthraquinone Formula: C44H46N2O2S2 MolecularWeight: 698.97824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C=C1)SC3=CC(=CC=C3)SCC)C(=O)C4=C(C=CC(=C4C2=O)NC5=CC=C(C=C5)C(C)(C)C)NC6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

CCC1=C2C(=C(C=C1)SC3=CC(=CC=C3)SCC)C(=O)C4=C(C=CC(=C4C2=O)NC5=CC=C(C=C5)C(C)(C)C)NC6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C44H46N2O2S2/c1-9-27-14-25-36(50-33-13-11-12-32(26-33)49-10-2)40-37(27)41(47)38-34(45-30-19-15-28(16-20-30)43(3,4)5)23-24-35(39(38)42(40)48)46-31-21-17-29(18-22-31)44(6,7)8/h11-26,45-46H,9-10H2,1-8H3