2-[4-(5-chloranylbenzotriazol-2-yl)-3-oxidanyl-phenoxy]ethyl 2-ethylhexanoate

Systemtic Name: 2-[4-(5-chloranylbenzotriazol-2-yl)-3-oxidanyl-phenoxy]ethyl 2-ethylhexanoate Openeye Name: 2-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxy-phenoxy]ethyl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid 2-[4-(5-chloro-2-benzotriazolyl)-3-hydroxyphenoxy]ethyl ester IUPAC Name: 2-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenoxy]ethyl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid 2-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxy-phenoxy]ethyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCCOC1=CC(=C(C=C1)N2N=C3C=CC(=CC3=N2)Cl)O

Isomeric SMILES

CCCCC(CC)C(=O)OCCOC1=CC(=C(C=C1)N2N=C3C=CC(=CC3=N2)Cl)O

InChI

InChI=1S/C22H26ClN3O4/c1-3-5-6-15(4-2)22(28)30-12-11-29-17-8-10-20(21(27)14-17)26-24-18-9-7-16(23)13-19(18)25-26/h7-10,13-15,27H,3-6,11-12H2,1-2H3