1-[(3-nitrophenyl)amino]-5-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1-[(3-nitrophenyl)amino]-5-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1-(3-nitroanilino)-5-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1-(3-nitroanilino)-5-(phenylthio)anthracene-9,10-dione IUPAC Name: 1-(3-nitroanilino)-5-phenylsulfanylanthracene-9,10-dione Traditional Name: 1-(3-nitroanilino)-5-(phenylthio)-9,10-anthraquinone Formula: C26H16N2O4S MolecularWeight: 452.48124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H16N2O4S/c29-25-20-12-6-14-22(33-18-9-2-1-3-10-18)24(20)26(30)19-11-5-13-21(23(19)25)27-16-7-4-8-17(15-16)28(31)32/h1-15,27H