1,2-bis[[4-(4-nitrophenyl)sulfanylphenyl]amino]anthracene-9,10-dione

Systemtic Name: 1,2-bis[[4-(4-nitrophenyl)sulfanylphenyl]amino]anthracene-9,10-dione Openeye Name: 1,2-bis[4-(4-nitrophenyl)sulfanylanilino]anthracene-9,10-dione CAS Name: 1,2-bis[4-[(4-nitrophenyl)thio]anilino]anthracene-9,10-dione IUPAC Name: 1,2-bis[4-(4-nitrophenyl)sulfanylanilino]anthracene-9,10-dione Traditional Name: 1,2-bis[4-[(4-nitrophenyl)thio]anilino]-9,10-anthraquinone Formula: C38H24N4O6S2 MolecularWeight: 696.75036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)NC4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=C(C=C6)SC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)NC4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=C(C=C6)SC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C38H24N4O6S2/c43-37-31-3-1-2-4-32(31)38(44)35-33(37)21-22-34(39-23-5-13-27(14-6-23)49-29-17-9-25(10-18-29)41(45)46)36(35)40-24-7-15-28(16-8-24)50-30-19-11-26(12-20-30)42(47)48/h1-22,39-40H