[3-oxidanylidene-2-(2,4,6-trimethylphenyl)inden-1-yl] octadecanoate

Systemtic Name: [3-oxidanylidene-2-(2,4,6-trimethylphenyl)inden-1-yl] octadecanoate Openeye Name: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] octadecanoate CAS Name: octadecanoic acid [3-oxo-2-(2,4,6-trimethylphenyl)-1-indenyl] ester IUPAC Name: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] octadecanoate Traditional Name: stearic acid (3-keto-2-mesityl-inden-1-yl) ester Formula: C36H50O3 MolecularWeight: 530.7804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C36H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32(37)39-36-31-23-21-20-22-30(31)35(38)34(36)33-28(3)25-27(2)26-29(33)4/h20-23,25-26H,5-19,24H2,1-4H3