cyclopentane; iron; 3-oxidanyl-1-propan-2-yl-xanthen-9-one

Systemtic Name: cyclopentane; iron; 3-oxidanyl-1-propan-2-yl-xanthen-9-one Openeye Name: cyclopentane; 3-hydroxy-1-isopropyl-xanthen-9-one; iron CAS Name: cyclopentane; 3-hydroxy-1-propan-2-yl-9-xanthenone; iron IUPAC Name: cyclopentane; 3-hydroxy-1-propan-2-ylxanthen-9-one; iron Traditional Name: cyclopentane; 3-hydroxy-1-isopropyl-xanthone; iron Formula: C21H19FeO3 MolecularWeight: 375.21876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3O2)O.[CH]1[CH][CH][CH][CH]1.[Fe]

Isomeric SMILES

CC(C)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3O2)O.[CH]1[CH][CH][CH][CH]1.[Fe]

InChI

InChI=1S/C16H14O3.C5H5.Fe/c1-9(2)12-7-10(17)8-14-15(12)16(18)11-5-3-4-6-13(11)19-14;1-2-4-5-3-1;/h3-9,17H,1-2H3;1-5H;