2-(3,6,8-trimethylpyren-1-yl)propan-2-yl 2-methylpropanoate

Systemtic Name: 2-(3,6,8-trimethylpyren-1-yl)propan-2-yl 2-methylpropanoate Openeye Name: [1-methyl-1-(3,6,8-trimethylpyren-1-yl)ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-(3,6,8-trimethyl-1-pyrenyl)propan-2-yl ester IUPAC Name: 2-(3,6,8-trimethylpyren-1-yl)propan-2-yl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [1-methyl-1-(3,6,8-trimethylpyren-1-yl)ethyl] ester Formula: C26H28O2 MolecularWeight: 372.49932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)C)C(C)(C)OC(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)C)C(C)(C)OC(=O)C(C)C)C

InChI

InChI=1S/C26H28O2/c1-14(2)25(27)28-26(6,7)22-13-17(5)20-9-8-18-15(3)12-16(4)19-10-11-21(22)24(20)23(18)19/h8-14H,1-7H3