S-(anthracen-9-ylmethyl) cyclopentanecarbothioate; cyclopentane; iron(2+)

Systemtic Name: S-(anthracen-9-ylmethyl) cyclopentanecarbothioate; cyclopentane; iron(2+) Openeye Name: ferrous; S-(9-anthrylmethyl) cyclopentanecarbothioate; cyclopentane CAS Name: cyclopentane; cyclopentanecarbothioic acid S-(9-anthracenylmethyl) ester; iron(2+) IUPAC Name: S-(anthracen-9-ylmethyl) cyclopentanecarbothioate; cyclopentane; iron(2+) Traditional Name: ferrous; cyclopentane; cyclopentanecarbothioic acid S-(9-anthrylmethyl) ester Formula: C26H20FeOS+2 MolecularWeight: 436.3464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CSC(=O)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CSC(=O)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H15OS.C5H5.Fe/c22-21(15-7-1-2-8-15)23-14-20-18-11-5-3-9-16(18)13-17-10-4-6-12-19(17)20;1-2-4-5-3-1;/h1-13H,14H2;1-5H;/q;;+2