5-(6-cyano-2-oxidanyl-naphthalen-1-yl)-6-oxidanyl-naphthalene-2-carbonitrile; lanthanum

Systemtic Name: 5-(6-cyano-2-oxidanyl-naphthalen-1-yl)-6-oxidanyl-naphthalene-2-carbonitrile; lanthanum Openeye Name: 5-(6-cyano-2-hydroxy-1-naphthyl)-6-hydroxy-naphthalene-2-carbonitrile; lanthanum CAS Name: 5-(6-cyano-2-hydroxy-1-naphthalenyl)-6-hydroxy-2-naphthalenecarbonitrile; lanthanum IUPAC Name: 5-(6-cyano-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbonitrile; lanthanum Traditional Name: 5-(6-cyano-2-hydroxy-1-naphthyl)-6-hydroxy-naphthalene-2-carbonitrile; lanthanum Formula: C66H36LaN6O6 MolecularWeight: 1147.93414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)C#N)O)O)C=C1C#N.C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)C#N)O)O)C=C1C#N.C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)C#N)O)O)C=C1C#N.[La]

Isomeric SMILES

C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)C#N)O)O)C=C1C#N.C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)C#N)O)O)C=C1C#N.C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)C#N)O)O)C=C1C#N.[La]

InChI

InChI=1S/3C22H12N2O2.La/c3*23-11-13-1-5-17-15(9-13)3-7-19(25)21(17)22-18-6-2-14(12-24)10-16(18)4-8-20(22)26;/h3*1-10,25-26H;