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

Systemtic Name: [3-oxidanylidene-2-(2,4,6-trimethylphenyl)inden-1-yl] dodecanoate Openeye Name: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] dodecanoate CAS Name: dodecanoic acid [3-oxo-2-(2,4,6-trimethylphenyl)-1-indenyl] ester IUPAC Name: [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] dodecanoate Traditional Name: lauric acid (3-keto-2-mesityl-inden-1-yl) ester Formula: C30H38O3 MolecularWeight: 446.62092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38O3/c1-5-6-7-8-9-10-11-12-13-18-26(31)33-30-25-17-15-14-16-24(25)29(32)28(30)27-22(3)19-21(2)20-23(27)4/h14-17,19-20H,5-13,18H2,1-4H3