2,3,3a,7a-tetrahydro-1H-indene; benzenethiolate; cyclopentane; zirconium(4+)

Systemtic Name: 2,3,3a,7a-tetrahydro-1H-indene; benzenethiolate; cyclopentane; zirconium(4+) Openeye Name: 2,3,3a,7a-tetrahydro-1H-indene; benzenethiolate; cyclopentane; zirconium(4+) CAS Name: 2,3,3a,7a-tetrahydro-1H-indene; benzenethiolate; cyclopentane; zirconium(4+) IUPAC Name: 2,3,3a,7a-tetrahydro-1H-indene; benzenethiolate; cyclopentane; zirconium(4+) Traditional Name: 2,3,3a,7a-tetrahydro-1H-indene; benzenethiolate; cyclopentane; zirconium(4+) Formula: C26H32S2Zr+2 MolecularWeight: 499.88628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC1.C1CC2C=CC=CC2C1.C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].[Zr+4]

Isomeric SMILES

C1CCCC1.C1CC2C=CC=CC2C1.C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].[Zr+4]

InChI

InChI=1S/C9H12.2C6H6S.C5H10.Zr/c1-2-5-9-7-3-6-8(9)4-1;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-2,4-5,8-9H,3,6-7H2;2*1-5,7H;1-5H2;/q;;;;+4/p-2