[(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-pyren-4-yl] ethanoate

Systemtic Name: [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-pyren-4-yl] ethanoate Openeye Name: [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-pyren-4-yl] acetate CAS Name: acetic acid [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-4-pyrenyl] ester IUPAC Name: [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl] acetate Traditional Name: acetic acid [(10bS,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-pyren-4-yl] ester Formula: C28H34O2 MolecularWeight: 402.56836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=C(C=C3C2(C4(C(=CC(=CC4=C1)C(C)(C)C)C=C3)C)C)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C2C=C(C=C3[C@]2([C@@]4(C(=CC(=CC4=C1)C(C)(C)C)C=C3)C)C)C(C)(C)C

InChI

InChI=1S/C28H34O2/c1-17(29)30-24-16-22-14-20(25(2,3)4)12-18-10-11-19-13-21(26(5,6)7)15-23(24)28(19,9)27(18,22)8/h10-16H,1-9H3/t27-,28-/m1/s1