1,5-bis[[4-(4-phenylphenyl)sulfonylphenyl]amino]anthracene-9,10-dione

Systemtic Name: 1,5-bis[[4-(4-phenylphenyl)sulfonylphenyl]amino]anthracene-9,10-dione Openeye Name: 1,5-bis[4-(4-phenylphenyl)sulfonylanilino]anthracene-9,10-dione CAS Name: 1,5-bis[4-(4-phenylphenyl)sulfonylanilino]anthracene-9,10-dione IUPAC Name: 1,5-bis[4-(4-phenylphenyl)sulfonylanilino]anthracene-9,10-dione Traditional Name: 1,5-bis[4-(4-phenylphenyl)sulfonylanilino]-9,10-anthraquinone Formula: C50H34N2O6S2 MolecularWeight: 822.94476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)NC7=CC=C(C=C7)S(=O)(=O)C8=CC=C(C=C8)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)NC7=CC=C(C=C7)S(=O)(=O)C8=CC=C(C=C8)C9=CC=CC=C9

InChI

InChI=1S/C50H34N2O6S2/c53-49-44-14-8-16-46(52-38-23-31-42(32-24-38)60(57,58)40-27-19-36(20-28-40)34-11-5-2-6-12-34)48(44)50(54)43-13-7-15-45(47(43)49)51-37-21-29-41(30-22-37)59(55,56)39-25-17-35(18-26-39)33-9-3-1-4-10-33/h1-32,51-52H