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

Systemtic Name: 6-methylheptyl 3-[(3E)-3-(5-tert-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: 6-methylheptyl 3-[(3E)-3-(5-tert-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3E)-3-(5-tert-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 3-[(3E)-3-(5-tert-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3E)-3-(5-tert-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid 6-methylheptyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)CCC1=CC(=C2C(=CC=C3C2=NNN3)C(C)(C)C)C(=O)C=C1

Isomeric SMILES

CC(C)CCCCCOC(=O)CCC1=C/C(=C\2/C(=CC=C3C2=NNN3)C(C)(C)C)/C(=O)C=C1

InChI

InChI=1S/C27H37N3O3/c1-18(2)9-7-6-8-16-33-24(32)15-11-19-10-14-23(31)20(17-19)25-21(27(3,4)5)12-13-22-26(25)29-30-28-22/h10,12-14,17-18,28,30H,6-9,11,15-16H2,1-5H3/b25-20+