benzenesulfinic acid; cyclopentane; prop-1-enylbenzene; zirconium(3+)

Systemtic Name: benzenesulfinic acid; cyclopentane; prop-1-enylbenzene; zirconium(3+) Openeye Name: benzenesulfinic acid; cyclopentane; prop-1-enylbenzene; zirconium(3+) CAS Name: benzenesulfinic acid; cyclopentane; prop-1-enylbenzene; zirconium(3+) IUPAC Name: benzenesulfinic acid; cyclopentane; prop-1-enylbenzene; zirconium(3+) Traditional Name: benzenesulfinic acid; cyclopentane; prop-1-enylbenzene; zirconium(3+) Formula: C25H25O2SZr+2 MolecularWeight: 480.7538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C-]=CC1=CC=CC=C1.C1=CC=C(C=C1)S(=O)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

Isomeric SMILES

C[C-]=CC1=CC=CC=C1.C1=CC=C(C=C1)S(=O)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

InChI

InChI=1S/C9H9.C6H6O2S.2C5H5.Zr/c1-2-6-9-7-4-3-5-8-9;7-9(8)6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h3-8H,1H3;1-5H,(H,7,8);2*1-5H;/q-1;;;;+3