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

Systemtic Name: 1,5-bis[(4-tert-butylphenyl)sulfanyl]-4,8-bis(phenylazanyl)anthracene-9,10-dione Openeye Name: 1,5-dianilino-4,8-bis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,5-dianilino-4,8-bis[(4-tert-butylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,5-dianilino-4,8-bis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,5-dianilino-4,8-bis[(4-tert-butylphenyl)thio]-9,10-anthraquinone Formula: C46H42N2O2S2 MolecularWeight: 718.96788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)NC6=CC=CC=C6)SC7=CC=C(C=C7)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)NC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)NC6=CC=CC=C6)SC7=CC=C(C=C7)C(C)(C)C

InChI

InChI=1S/C46H42N2O2S2/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-25-35(47-31-13-9-7-10-14-31)39-41(37)43(49)40-36(48-32-15-11-8-12-16-32)26-28-38(42(40)44(39)50)52-34-23-19-30(20-24-34)46(4,5)6/h7-28,47-48H,1-6H3