[3,8-bis(chloranyl)-5,10-bis(phenylazanyl)-6-sulfonatooxy-pyren-1-yl] sulfate

Systemtic Name: [3,8-bis(chloranyl)-5,10-bis(phenylazanyl)-6-sulfonatooxy-pyren-1-yl] sulfate Openeye Name: (5,10-dianilino-3,8-dichloro-6-sulfonatooxy-pyren-1-yl) sulfate CAS Name: (5,10-dianilino-3,8-dichloro-6-sulfonatooxy-1-pyrenyl) sulfate IUPAC Name: (5,10-dianilino-3,8-dichloro-6-sulfonatooxypyren-1-yl) sulfate Traditional Name: (5,10-dianilino-3,8-dichloro-6-sulfato-pyren-1-yl) sulfate Formula: C28H16Cl2N2O8S2-2 MolecularWeight: 643.47124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C(C4=C(C=C5C(=CC(=C2C5=C34)OS(=O)(=O)[O-])Cl)NC6=CC=CC=C6)OS(=O)(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C(C4=C(C=C5C(=CC(=C2C5=C34)OS(=O)(=O)[O-])Cl)NC6=CC=CC=C6)OS(=O)(=O)[O-])Cl

InChI

InChI=1S/C28H18Cl2N2O8S2/c29-19-14-24(40-42(36,37)38)28-22(32-16-9-5-2-6-10-16)12-18-20(30)13-23(39-41(33,34)35)27-21(11-17(19)26(28)25(18)27)31-15-7-3-1-4-8-15/h1-14,31-32H,(H,33,34,35)(H,36,37,38)/p-2