[2-(6-methyl-2-oxidanylidene-oxan-3-yl)-6-octan-4-yloxy-phenyl] benzoate

Systemtic Name: [2-(6-methyl-2-oxidanylidene-oxan-3-yl)-6-octan-4-yloxy-phenyl] benzoate Openeye Name: [2-(6-methyl-2-oxo-tetrahydropyran-3-yl)-6-(1-propylpentoxy)phenyl] benzoate CAS Name: benzoic acid [2-(6-methyl-2-oxo-3-oxanyl)-6-octan-4-yloxyphenyl] ester IUPAC Name: [2-(6-methyl-2-oxooxan-3-yl)-6-octan-4-yloxyphenyl] benzoate Traditional Name: benzoic acid [2-(2-keto-6-methyl-tetrahydropyran-3-yl)-6-(1-propylpentoxy)phenyl] ester Formula: C27H34O5 MolecularWeight: 438.55586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)C3CCC(OC3=O)C

Isomeric SMILES

CCCCC(CCC)OC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)C3CCC(OC3=O)C

InChI

InChI=1S/C27H34O5/c1-4-6-14-21(11-5-2)31-24-16-10-15-22(23-18-17-19(3)30-27(23)29)25(24)32-26(28)20-12-8-7-9-13-20/h7-10,12-13,15-16,19,21,23H,4-6,11,14,17-18H2,1-3H3