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

Systemtic Name: 1,4,5-tris[(4-tert-butylphenyl)sulfanyl]-8-phenylazanyl-anthracene-9,10-dione Openeye Name: 1-anilino-4,5,8-tris[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1-anilino-4,5,8-tris[(4-tert-butylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1-anilino-4,5,8-tris[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1-anilino-4,5,8-tris[(4-tert-butylphenyl)thio]-9,10-anthraquinone Formula: C50H49NO2S3 MolecularWeight: 792.12456

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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)SC6=CC=C(C=C6)C(C)(C)C)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)SC6=CC=C(C=C6)C(C)(C)C)SC7=CC=C(C=C7)C(C)(C)C

InChI

InChI=1S/C50H49NO2S3/c1-48(2,3)31-15-21-35(22-16-31)54-39-28-27-38(51-34-13-11-10-12-14-34)42-43(39)47(53)45-41(56-37-25-19-33(20-26-37)50(7,8)9)30-29-40(44(45)46(42)52)55-36-23-17-32(18-24-36)49(4,5)6/h10-30,51H,1-9H3