pentyl 3-methyl-5-phenyl-hexadecanoate

Systemtic Name: pentyl 3-methyl-5-phenyl-hexadecanoate Openeye Name: pentyl 3-methyl-5-phenyl-hexadecanoate CAS Name: 3-methyl-5-phenylhexadecanoic acid pentyl ester IUPAC Name: pentyl 3-methyl-5-phenylhexadecanoate Traditional Name: 3-methyl-5-phenyl-palmitic acid amyl ester Formula: C28H48O2 MolecularWeight: 416.67952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C)CC(=O)OCCCCC)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(CC(C)CC(=O)OCCCCC)C1=CC=CC=C1

InChI

InChI=1S/C28H48O2/c1-4-6-8-9-10-11-12-13-15-21-27(26-19-16-14-17-20-26)23-25(3)24-28(29)30-22-18-7-5-2/h14,16-17,19-20,25,27H,4-13,15,18,21-24H2,1-3H3