carbon monoxide; cyclopenta-1,3-diene; (diphenylamino)-sulfaniumylidene-methanethiolate; iron

Systemtic Name: carbon monoxide; cyclopenta-1,3-diene; (diphenylamino)-sulfaniumylidene-methanethiolate; iron Openeye Name: carbon monoxide; cyclopenta-1,3-diene; iron; (N-phenylanilino)-sulfoniumylidene-methanethiolate CAS Name: carbon monoxide; cyclopenta-1,3-diene; iron; (N-phenylanilino)-sulfoniumylidenemethanethiolate IUPAC Name: carbon monoxide; cyclopenta-1,3-diene; iron; (N-phenylanilino)-sulfoniumylidenemethanethiolate Traditional Name: carbon monoxide; cyclopenta-1,3-diene; iron; (N-phenylanilino)-sulfoniumylidene-methanethiolate Formula: C19H16FeNOS2- MolecularWeight: 394.31144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[CH-]1C=CC=C1.C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=[SH+])[S-].[Fe]

Isomeric SMILES

[C-]#[O+].[CH-]1C=CC=C1.C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=[SH+])[S-].[Fe]

InChI

InChI=1S/C13H11NS2.C5H5.CO.Fe/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1;1-2;/h1-10H,(H,15,16);1-5H;;/q;-1;;