[3-[4-(1-adamantyl)phenyl]phenyl] 1-chloroethyl carbonate

Systemtic Name: [3-[4-(1-adamantyl)phenyl]phenyl] 1-chloroethyl carbonate Openeye Name: [3-[4-(1-adamantyl)phenyl]phenyl] 1-chloroethyl carbonate CAS Name: carbonic acid [3-[4-(1-adamantyl)phenyl]phenyl] 1-chloroethyl ester IUPAC Name: [3-[4-(1-adamantyl)phenyl]phenyl] 1-chloroethyl carbonate Traditional Name: carbonic acid [3-[4-(1-adamantyl)phenyl]phenyl] 1-chloroethyl ester Formula: C25H27ClO3 MolecularWeight: 410.93308

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)OC1=CC=CC(=C1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC(OC(=O)OC1=CC=CC(=C1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C25H27ClO3/c1-16(26)28-24(27)29-23-4-2-3-21(12-23)20-5-7-22(8-6-20)25-13-17-9-18(14-25)11-19(10-17)15-25/h2-8,12,16-19H,9-11,13-15H2,1H3