2-hexadecyl-1-(4-methoxyphenyl)butane-1,3-dione

Systemtic Name: 2-hexadecyl-1-(4-methoxyphenyl)butane-1,3-dione Openeye Name: 2-hexadecyl-1-(4-methoxyphenyl)butane-1,3-dione CAS Name: 2-hexadecyl-1-(4-methoxyphenyl)butane-1,3-dione IUPAC Name: 2-hexadecyl-1-(4-methoxyphenyl)butane-1,3-dione Traditional Name: 2-cetyl-1-(4-methoxyphenyl)butane-1,3-dione Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)C)C(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)C)C(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C27H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(23(2)28)27(29)24-19-21-25(30-3)22-20-24/h19-22,26H,4-18H2,1-3H3