(2-methyl-2-adamantyl) [4-(4-methyl-4-phenyl-hexan-2-yl)phenyl] carbonate

Systemtic Name: (2-methyl-2-adamantyl) [4-(4-methyl-4-phenyl-hexan-2-yl)phenyl] carbonate Openeye Name: [4-(1,3-dimethyl-3-phenyl-pentyl)phenyl] (2-methyl-2-adamantyl) carbonate CAS Name: carbonic acid (2-methyl-2-adamantyl) [4-(4-methyl-4-phenylhexan-2-yl)phenyl] ester IUPAC Name: (2-methyl-2-adamantyl) [4-(4-methyl-4-phenylhexan-2-yl)phenyl] carbonate Traditional Name: carbonic acid [4-(1,3-dimethyl-3-phenyl-pentyl)phenyl] (2-methyl-2-adamantyl) ester Formula: C31H40O3 MolecularWeight: 460.6475

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)C1=CC=C(C=C1)OC(=O)OC2(C3CC4CC(C3)CC2C4)C)C5=CC=CC=C5

Isomeric SMILES

CCC(C)(CC(C)C1=CC=C(C=C1)OC(=O)OC2(C3CC4CC(C3)CC2C4)C)C5=CC=CC=C5

InChI

InChI=1S/C31H40O3/c1-5-30(3,25-9-7-6-8-10-25)20-21(2)24-11-13-28(14-12-24)33-29(32)34-31(4)26-16-22-15-23(18-26)19-27(31)17-22/h6-14,21-23,26-27H,5,15-20H2,1-4H3