[4-[(4-acetyloxyphenyl)-(2-adamantylidene)methyl]phenyl] ethanoate

Systemtic Name: [4-[(4-acetyloxyphenyl)-(2-adamantylidene)methyl]phenyl] ethanoate Openeye Name: [4-[(4-acetoxyphenyl)-(2-adamantylidene)methyl]phenyl] acetate CAS Name: acetic acid [4-[(4-acetyloxyphenyl)-(2-adamantylidene)methyl]phenyl] ester IUPAC Name: [4-[(4-acetyloxyphenyl)-(2-adamantylidene)methyl]phenyl] acetate Traditional Name: acetic acid [4-[(4-acetoxyphenyl)-(2-adamantylidene)methyl]phenyl] ester Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=C2C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=C2C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)OC(=O)C

InChI

InChI=1S/C27H28O4/c1-16(28)30-24-7-3-20(4-8-24)26(21-5-9-25(10-6-21)31-17(2)29)27-22-12-18-11-19(14-22)15-23(27)13-18/h3-10,18-19,22-23H,11-15H2,1-2H3