1,3,4,6-tetrakis(2,3,5-trimethylcyclopentyl)-1H-pentalene

Systemtic Name: 1,3,4,6-tetrakis(2,3,5-trimethylcyclopentyl)-1H-pentalene Openeye Name: 1,3,4,6-tetrakis(2,3,5-trimethylcyclopentyl)-1H-pentalene CAS Name: 1,3,4,6-tetrakis(2,3,5-trimethylcyclopentyl)-1H-pentalene IUPAC Name: 1,3,4,6-tetrakis(2,3,5-trimethylcyclopentyl)-1H-pentalene Traditional Name: 1,3,4,6-tetrakis(2,3,5-trimethylcyclopentyl)-1H-pentalene Formula: C40H43 MolecularWeight: 523.76942

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][C]([C]([C]1C)C2C=C([C]3[C]2[C]([CH][C]3[C]4[C]([CH][C]([C]4C)C)C)[C]5[C]([CH][C]([C]5C)C)C)[C]6[C]([CH][C]([C]6C)C)C)C

Isomeric SMILES

C[C]1[CH][C]([C]([C]1C)C2C=C([C]3[C]2[C]([CH][C]3[C]4[C]([CH][C]([C]4C)C)C)[C]5[C]([CH][C]([C]5C)C)C)[C]6[C]([CH][C]([C]6C)C)C)C

InChI

InChI=1S/C40H43/c1-19-13-23(5)35(27(19)9)31-17-32(36-24(6)14-20(2)28(36)10)40-34(38-26(8)16-22(4)30(38)12)18-33(39(31)40)37-25(7)15-21(3)29(37)11/h13-18,31H,1-12H3