cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-3-isothiocyanato-benzoic acid; iron

Systemtic Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-3-isothiocyanato-benzoic acid; iron Openeye Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-3-isothiocyanato-benzoic acid; iron CAS Name: cyclopenta-1,3-diene; 2-(1-cyclopenta-2,4-dienyl)-3-isothiocyanatobenzoic acid; iron IUPAC Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-3-isothiocyanatobenzoic acid; iron Traditional Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-3-isothiocyanato-benzoic acid; iron Formula: C18H13FeNO2S-2 MolecularWeight: 363.21132

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=C[C-](C=C1)C2=C(C=CC=C2N=C=S)C(=O)O.[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=C[C-](C=C1)C2=C(C=CC=C2N=C=S)C(=O)O.[Fe]

InChI

InChI=1S/C13H8NO2S.C5H5.Fe/c15-13(16)10-6-3-7-11(14-8-17)12(10)9-4-1-2-5-9;1-2-4-5-3-1;/h1-7H,(H,15,16);1-5H;/q2*-1;