2-ethylhexyl 3-[(3E)-5-tert-butyl-3-(5-chloranyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: 2-ethylhexyl 3-[(3E)-5-tert-butyl-3-(5-chloranyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: 2-ethylhexyl 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid 2-ethylhexyl ester Formula: C27H36ClN3O3 MolecularWeight: 486.04604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCC1=CC(=C2C(=CC=C3C2=NNN3)Cl)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CCCCC(CC)COC(=O)CCC1=C/C(=C/2\C(=CC=C3C2=NNN3)Cl)/C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C27H36ClN3O3/c1-6-8-9-17(7-2)16-34-23(32)13-10-18-14-19(26(33)20(15-18)27(3,4)5)24-21(28)11-12-22-25(24)30-31-29-22/h11-12,14-15,17,29,31H,6-10,13,16H2,1-5H3/b24-19-