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[(1S)-1-[2-[bis(1-adamantyl)methyl]phenyl]ethyl] ethanoate

[(1S)-1-[2-[bis(1-adamantyl)methyl]phenyl]ethyl] ethanoate

Systemtic Name:[(1S)-1-[2-[bis(1-adamantyl)methyl]phenyl]ethyl] ethanoate
Openeye Name:[(1S)-1-[2-[bis(1-adamantyl)methyl]phenyl]ethyl] acetate
CAS Name:acetic acid [(1S)-1-[2-[bis(1-adamantyl)methyl]phenyl]ethyl] ester
IUPAC Name:[(1S)-1-[2-[bis(1-adamantyl)methyl]phenyl]ethyl] acetate
Traditional Name:acetic acid [(1S)-1-[2-[bis(1-adamantyl)methyl]phenyl]ethyl] ester
Formula: C31H42O2
MolecularWeight: 446.66398
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6)OC(=O)C


Isomeric SMILES

C[C@@H](C1=CC=CC=C1C(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6)OC(=O)C


InChI

InChI=1S/C31H42O2/c1-19(33-20(2)32)27-5-3-4-6-28(27)29(30-13-21-7-22(14-30)9-23(8-21)15-30)31-16-24-10-25(17-31)12-26(11-24)18-31/h3-6,19,21-26,29H,7-18H2,1-2H3/t19-,21?,22?,23?,24?,25?,26?,29?,30?,31?/m0/s1


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