[5-octan-4-yloxy-2-[4-(3-oxidanylideneoxiran-2-yl)butyl]phenyl] benzoate

Systemtic Name: [5-octan-4-yloxy-2-[4-(3-oxidanylideneoxiran-2-yl)butyl]phenyl] benzoate Openeye Name: [2-[4-(3-oxooxiran-2-yl)butyl]-5-(1-propylpentoxy)phenyl] benzoate CAS Name: benzoic acid [5-octan-4-yloxy-2-[4-(3-oxo-2-oxiranyl)butyl]phenyl] ester IUPAC Name: [5-octan-4-yloxy-2-[4-(3-oxooxiran-2-yl)butyl]phenyl] benzoate Traditional Name: benzoic acid [2-[4-(3-ketooxiran-2-yl)butyl]-5-(1-propylpentoxy)phenyl] ester Formula: C27H34O5 MolecularWeight: 438.55586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC1=CC(=C(C=C1)CCCCC2C(=O)O2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CCC)OC1=CC(=C(C=C1)CCCCC2C(=O)O2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H34O5/c1-3-5-15-22(11-4-2)30-23-18-17-20(12-9-10-16-24-27(29)31-24)25(19-23)32-26(28)21-13-7-6-8-14-21/h6-8,13-14,17-19,22,24H,3-5,9-12,15-16H2,1-2H3