carbon monoxide; cyclopentane; iron(2+); 4-(phenylsulfonyl)but-3-enylbenzene; triphenylphosphane

Systemtic Name: carbon monoxide; cyclopentane; iron(2+); 4-(phenylsulfonyl)but-3-enylbenzene; triphenylphosphane Openeye Name: ferrous; 4-(benzenesulfonyl)but-3-enylbenzene; carbon monoxide; cyclopentane; triphenylphosphane CAS Name: 4-(benzenesulfonyl)but-3-enylbenzene; carbon monoxide; cyclopentane; iron(2+); triphenylphosphine IUPAC Name: 4-(benzenesulfonyl)but-3-enylbenzene; carbon monoxide; cyclopentane; iron(2+); triphenylphosphane Traditional Name: ferrous; 4-besylbut-3-enylbenzene; carbon monoxide; cyclopentane; triphenylphosphine Formula: C40H35FeO3PS+ MolecularWeight: 682.587861

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].C1=CC=C(C=C1)CC[C-]=CS(=O)(=O)C2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

[C-]#[O+].C1=CC=C(C=C1)CC[C-]=CS(=O)(=O)C2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C18H15P.C16H15O2S.C5H5.CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-19(18,16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15;1-2-4-5-3-1;1-2;/h1-15H;1-6,9-10,12-14H,7,11H2;1-5H;;/q;-1;;;+2