2-[2-(hydroxymethyl)-2,4,6-trimethyl-3-oxidanylidene-1H-inden-5-yl]ethyl hexadecanoate

Systemtic Name: 2-[2-(hydroxymethyl)-2,4,6-trimethyl-3-oxidanylidene-1H-inden-5-yl]ethyl hexadecanoate Openeye Name: 2-[2-(hydroxymethyl)-2,4,6-trimethyl-3-oxo-indan-5-yl]ethyl hexadecanoate CAS Name: hexadecanoic acid 2-[2-(hydroxymethyl)-2,4,6-trimethyl-3-oxo-1H-inden-5-yl]ethyl ester IUPAC Name: 2-[2-(hydroxymethyl)-2,4,6-trimethyl-3-oxo-1H-inden-5-yl]ethyl hexadecanoate Traditional Name: palmitic acid 2-(3-keto-2,4,6-trimethyl-2-methylol-indan-5-yl)ethyl ester Formula: C31H50O4 MolecularWeight: 486.7263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCC1=C(C=C2CC(C(=O)C2=C1C)(C)CO)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCC1=C(C=C2CC(C(=O)C2=C1C)(C)CO)C

InChI

InChI=1S/C31H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(33)35-20-19-27-24(2)21-26-22-31(4,23-32)30(34)29(26)25(27)3/h21,32H,5-20,22-23H2,1-4H3