[6-cyano-1-(6-cyano-2-oxidanyl-naphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate

Systemtic Name: [6-cyano-1-(6-cyano-2-oxidanyl-naphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate Openeye Name: [6-cyano-1-(6-cyano-2-hydroxy-1-naphthyl)-2-naphthyl] hydrogen sulfate CAS Name: sulfuric acid [6-cyano-1-(6-cyano-2-hydroxy-1-naphthalenyl)-2-naphthalenyl] ester IUPAC Name: [6-cyano-1-(6-cyano-2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [6-cyano-1-(6-cyano-2-hydroxy-1-naphthyl)-2-naphthyl] ester Formula: C22H12N2O5S MolecularWeight: 416.40608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)C#N)OS(=O)(=O)O)O)C=C1C#N

Isomeric SMILES

C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)C#N)OS(=O)(=O)O)O)C=C1C#N

InChI

InChI=1S/C22H12N2O5S/c23-11-13-1-5-17-15(9-13)3-7-19(25)21(17)22-18-6-2-14(12-24)10-16(18)4-8-20(22)29-30(26,27)28/h1-10,25H,(H,26,27,28)