5-(3-ethyloxiran-2-yl)-2-(4-octoxyphenyl)benzoic acid

Systemtic Name: 5-(3-ethyloxiran-2-yl)-2-(4-octoxyphenyl)benzoic acid Openeye Name: 5-(3-ethyloxiran-2-yl)-2-(4-octoxyphenyl)benzoic acid CAS Name: 5-(3-ethyl-2-oxiranyl)-2-(4-octoxyphenyl)benzoic acid IUPAC Name: 5-(3-ethyloxiran-2-yl)-2-(4-octoxyphenyl)benzoic acid Traditional Name: 5-(3-ethyloxiran-2-yl)-2-(4-octoxyphenyl)benzoic acid Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C3C(O3)CC)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C3C(O3)CC)C(=O)O

InChI

InChI=1S/C25H32O4/c1-3-5-6-7-8-9-16-28-20-13-10-18(11-14-20)21-15-12-19(17-22(21)25(26)27)24-23(4-2)29-24/h10-15,17,23-24H,3-9,16H2,1-2H3,(H,26,27)