1-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-4-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-4-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1-(2,6-dibromo-4-methyl-anilino)-4-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1-(2,6-dibromo-4-methylanilino)-4-(phenylthio)anthracene-9,10-dione IUPAC Name: 1-(2,6-dibromo-4-methylanilino)-4-phenylsulfanylanthracene-9,10-dione Traditional Name: 1-(2,6-dibromo-4-methyl-anilino)-4-(phenylthio)-9,10-anthraquinone Formula: C27H17Br2NO2S MolecularWeight: 579.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)Br

InChI

InChI=1S/C27H17Br2NO2S/c1-15-13-19(28)25(20(29)14-15)30-21-11-12-22(33-16-7-3-2-4-8-16)24-23(21)26(31)17-9-5-6-10-18(17)27(24)32/h2-14,30H,1H3