ethyl 4-[7-ethoxy-2-[2-(2-hydroxyphenyl)ethyl]-7-oxidanylidene-heptyl]benzoate

Systemtic Name: ethyl 4-[7-ethoxy-2-[2-(2-hydroxyphenyl)ethyl]-7-oxidanylidene-heptyl]benzoate Openeye Name: ethyl 4-[7-ethoxy-2-[2-(2-hydroxyphenyl)ethyl]-7-oxo-heptyl]benzoate CAS Name: 4-[7-ethoxy-2-[2-(2-hydroxyphenyl)ethyl]-7-oxoheptyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-ethoxy-2-[2-(2-hydroxyphenyl)ethyl]-7-oxoheptyl]benzoate Traditional Name: 4-[7-ethoxy-2-[2-(2-hydroxyphenyl)ethyl]-7-keto-heptyl]benzoic acid ethyl ester Formula: C26H34O5 MolecularWeight: 426.54516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(CCC1=CC=CC=C1O)CC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCCCC(CCC1=CC=CC=C1O)CC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C26H34O5/c1-3-30-25(28)12-8-5-9-20(13-16-22-10-6-7-11-24(22)27)19-21-14-17-23(18-15-21)26(29)31-4-2/h6-7,10-11,14-15,17-18,20,27H,3-5,8-9,12-13,16,19H2,1-2H3