1-bromanyl-2-[2-(4-methylphenyl)sulfinylcyclopenta-2,4-dien-1-yl]benzene; cyclopenta-1,3-diene; iron

Systemtic Name: 1-bromanyl-2-[2-(4-methylphenyl)sulfinylcyclopenta-2,4-dien-1-yl]benzene; cyclopenta-1,3-diene; iron Openeye Name: 1-bromo-2-[2-(p-tolylsulfinyl)cyclopenta-2,4-dien-1-yl]benzene; cyclopenta-1,3-diene; iron CAS Name: 1-bromo-2-[2-(4-methylphenyl)sulfinyl-1-cyclopenta-2,4-dienyl]benzene; cyclopenta-1,3-diene; iron IUPAC Name: 1-bromo-2-[2-(4-methylphenyl)sulfinylcyclopenta-2,4-dien-1-yl]benzene; cyclopenta-1,3-diene; iron Traditional Name: 1-bromo-2-[2-(p-tolylsulfinyl)cyclopenta-2,4-dien-1-yl]benzene; cyclopenta-1,3-diene; iron Formula: C23H19BrFeOS-2 MolecularWeight: 479.21036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2=CC=C[C-]2C3=CC=CC=C3Br.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C2=CC=C[C-]2C3=CC=CC=C3Br.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C18H14BrOS.C5H5.Fe/c1-13-9-11-14(12-10-13)21(20)18-8-4-6-16(18)15-5-2-3-7-17(15)19;1-2-4-5-3-1;/h2-12H,1H3;1-5H;/q2*-1;