16-methylheptadecyl 2-[3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]-5-methyl-benzoate

Systemtic Name: 16-methylheptadecyl 2-[3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]-5-methyl-benzoate Openeye Name: 16-methylheptadecyl 2-[3-(4-methoxyphenyl)-3-oxo-propanoyl]-5-methyl-benzoate CAS Name: 2-[3-(4-methoxyphenyl)-1,3-dioxopropyl]-5-methylbenzoic acid 16-methylheptadecyl ester IUPAC Name: 16-methylheptadecyl 2-[3-(4-methoxyphenyl)-3-oxopropanoyl]-5-methylbenzoate Traditional Name: 2-[3-keto-3-(4-methoxyphenyl)propanoyl]-5-methyl-benzoic acid 16-methylheptadecyl ester Formula: C36H52O5 MolecularWeight: 564.79508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C36H52O5/c1-28(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-25-41-36(39)33-26-29(3)19-24-32(33)35(38)27-34(37)30-20-22-31(40-4)23-21-30/h19-24,26,28H,5-18,25,27H2,1-4H3