2-hexyl-5-oxidanyl-3-(phenylcarbonyloxy)hexadecanoate

Systemtic Name: 2-hexyl-5-oxidanyl-3-(phenylcarbonyloxy)hexadecanoate Openeye Name: 3-benzoyloxy-2-hexyl-5-hydroxy-hexadecanoate CAS Name: 3-benzoyloxy-2-hexyl-5-hydroxyhexadecanoate IUPAC Name: 3-benzoyloxy-2-hexyl-5-hydroxyhexadecanoate Traditional Name: 3-benzoyloxy-2-hexyl-5-hydroxy-palmitate Formula: C29H47O5- MolecularWeight: 475.68048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)[O-])OC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)[O-])OC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C29H48O5/c1-3-5-7-9-10-11-12-13-17-21-25(30)23-27(26(28(31)32)22-18-8-6-4-2)34-29(33)24-19-15-14-16-20-24/h14-16,19-20,25-27,30H,3-13,17-18,21-23H2,1-2H3,(H,31,32)/p-1