cyclopentane; hafnium; 2-(hydroxymethyl)-5-oxidanyl-pyran-4-one; N-phenylazanylcarbamodithioate

Systemtic Name: cyclopentane; hafnium; 2-(hydroxymethyl)-5-oxidanyl-pyran-4-one; N-phenylazanylcarbamodithioate Openeye Name: N-anilinocarbamodithioate; cyclopentane; hafnium; 5-hydroxy-2-(hydroxymethyl)pyran-4-one CAS Name: N-anilinocarbamodithioate; cyclopentane; hafnium; 5-hydroxy-2-(hydroxymethyl)-4-pyranone IUPAC Name: N-anilinocarbamodithioate; cyclopentane; hafnium; 5-hydroxy-2-(hydroxymethyl)pyran-4-one Traditional Name: N-anilinocarbamodithioate; cyclopentane; hafnium; 5-hydroxy-2-methylol-pyran-4-one Formula: C23H23HfN2O4S2- MolecularWeight: 634.05972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NNC(=S)[S-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C1=C(OC=C(C1=O)O)CO.[Hf]

Isomeric SMILES

C1=CC=C(C=C1)NNC(=S)[S-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C1=C(OC=C(C1=O)O)CO.[Hf]

InChI

InChI=1S/C7H8N2S2.C6H6O4.2C5H5.Hf/c10-7(11)9-8-6-4-2-1-3-5-6;7-2-4-1-5(8)6(9)3-10-4;2*1-2-4-5-3-1;/h1-5,8H,(H2,9,10,11);1,3,7,9H,2H2;2*1-5H;/p-1