(phenylmethyl) 8-ethanoyl-12-oxidanyl-13-phenylmethoxy-tridecanoate

Systemtic Name: (phenylmethyl) 8-ethanoyl-12-oxidanyl-13-phenylmethoxy-tridecanoate Openeye Name: benzyl 8-acetyl-13-benzyloxy-12-hydroxy-tridecanoate CAS Name: 8-acetyl-12-hydroxy-13-phenylmethoxytridecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 8-acetyl-12-hydroxy-13-phenylmethoxytridecanoate Traditional Name: 8-acetyl-13-benzoxy-12-hydroxy-tridecanoic acid benzyl ester Formula: C29H40O5 MolecularWeight: 468.6249

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCC(=O)OCC1=CC=CC=C1)CCCC(COCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)C(CCCCCCC(=O)OCC1=CC=CC=C1)CCCC(COCC2=CC=CC=C2)O

InChI

InChI=1S/C29H40O5/c1-24(30)27(18-12-19-28(31)23-33-21-25-13-6-4-7-14-25)17-10-2-3-11-20-29(32)34-22-26-15-8-5-9-16-26/h4-9,13-16,27-28,31H,2-3,10-12,17-23H2,1H3