1-[3-(cuban-1-ylmethyl)-2,7,8,8-tetramethyl-7-(3-methylheptan-3-yl)dodecyl]cubane

Systemtic Name: 1-[3-(cuban-1-ylmethyl)-2,7,8,8-tetramethyl-7-(3-methylheptan-3-yl)dodecyl]cubane Openeye Name: 1-[3-(cuban-1-ylmethyl)-7-(1,1-dimethylpentyl)-8-ethyl-2,7,8-trimethyl-dodecyl]cubane CAS Name: 1-[3-(1-cubanylmethyl)-2,7,8,8-tetramethyl-7-(3-methylheptan-3-yl)dodecyl]cubane IUPAC Name: 1-[3-(cuban-1-ylmethyl)-2,7,8,8-tetramethyl-7-(3-methylheptan-3-yl)dodecyl]cubane Traditional Name: 1-[3-(cuban-1-ylmethyl)-7-(1,1-dimethylpentyl)-8-ethyl-2,7,8-trimethyl-dodecyl]cubane Formula: C41H64 MolecularWeight: 556.94686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C)(CCCC(CC12C3C4C1C5C4C3C25)C(C)CC67C8C9C6C1C9C8C71)C(C)(CC)CCCC

Isomeric SMILES

CCCCC(C)(C)C(C)(CCCC(CC12C3C4C1C5C4C3C25)C(C)CC67C8C9C6C1C9C8C71)C(C)(CC)CCCC

InChI

InChI=1S/C41H64/c1-9-12-16-37(5,6)39(8,38(7,11-3)17-13-10-2)18-14-15-22(20-41-34-28-24-29(34)36(41)30(24)35(28)41)21(4)19-40-31-25-23-26(31)33(40)27(23)32(25)40/h21-36H,9-20H2,1-8H3