carbon monoxide; iron; [propyl(sulfanidylmethyl)amino]methanethiolate; triphenylphosphane

Systemtic Name: carbon monoxide; iron; [propyl(sulfanidylmethyl)amino]methanethiolate; triphenylphosphane Openeye Name: carbon monoxide; iron; [propyl(sulfidomethyl)amino]methanethiolate; triphenylphosphane CAS Name: carbon monoxide; iron; [propyl(sulfidomethyl)amino]methanethiolate; triphenylphosphine IUPAC Name: carbon monoxide; iron; [propyl(sulfidomethyl)amino]methanethiolate; triphenylphosphane Traditional Name: carbon monoxide; iron; [propyl(sulfidomethyl)amino]methanethiolate; triphenylphosphine Formula: C45H41Fe2NO4P2S2-2 MolecularWeight: 897.578862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C[S-])C[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe].[Fe]

Isomeric SMILES

CCCN(C[S-])C[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe].[Fe]

InChI

InChI=1S/2C18H15P.C5H13NS2.4CO.2Fe/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-6(4-7)5-8;4*1-2;;/h2*1-15H;7-8H,2-5H2,1H3;;;;;;/p-2