4-(benzotriazol-2-yl)-2-(2,4,4-trimethylpentan-2-yl)xanthen-9-one

Systemtic Name: 4-(benzotriazol-2-yl)-2-(2,4,4-trimethylpentan-2-yl)xanthen-9-one Openeye Name: 4-(benzotriazol-2-yl)-2-(1,1,3,3-tetramethylbutyl)xanthen-9-one CAS Name: 4-(2-benzotriazolyl)-2-(2,4,4-trimethylpentan-2-yl)-9-xanthenone IUPAC Name: 4-(benzotriazol-2-yl)-2-(2,4,4-trimethylpentan-2-yl)xanthen-9-one Traditional Name: 4-(benzotriazol-2-yl)-2-(1,1,3,3-tetramethylbutyl)xanthone Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3O2)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3O2)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C27H27N3O2/c1-26(2,3)16-27(4,5)17-14-19-24(31)18-10-6-9-13-23(18)32-25(19)22(15-17)30-28-20-11-7-8-12-21(20)29-30/h6-15H,16H2,1-5H3