[2-oxidanyl-2-(4-phenylmethoxybutyl)tridecyl] benzoate

Systemtic Name: [2-oxidanyl-2-(4-phenylmethoxybutyl)tridecyl] benzoate Openeye Name: [2-(4-benzyloxybutyl)-2-hydroxy-tridecyl] benzoate CAS Name: benzoic acid [2-hydroxy-2-(4-phenylmethoxybutyl)tridecyl] ester IUPAC Name: [2-hydroxy-2-(4-phenylmethoxybutyl)tridecyl] benzoate Traditional Name: benzoic acid [2-(4-benzoxybutyl)-2-hydroxy-tridecyl] ester Formula: C31H46O4 MolecularWeight: 482.69454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCOCC1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCOCC1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C31H46O4/c1-2-3-4-5-6-7-8-9-16-23-31(33,27-35-30(32)29-21-14-11-15-22-29)24-17-18-25-34-26-28-19-12-10-13-20-28/h10-15,19-22,33H,2-9,16-18,23-27H2,1H3