(6Z)-6-[1-[3-methyl-5-(2-methylheptan-2-yl)-2-oxidanyl-phenyl]-2H-benzotriazol-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[1-[3-methyl-5-(2-methylheptan-2-yl)-2-oxidanyl-phenyl]-2H-benzotriazol-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[1-[5-(1,1-dimethylhexyl)-2-hydroxy-3-methyl-phenyl]-2H-benzotriazol-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[1-[2-hydroxy-3-methyl-5-(2-methylheptan-2-yl)phenyl]-2H-benzotriazol-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[1-[2-hydroxy-3-methyl-5-(2-methylheptan-2-yl)phenyl]-2H-benzotriazol-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[1-[5-(1,1-dimethylhexyl)-2-hydroxy-3-methyl-phenyl]-2H-benzotriazol-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)N2C3=CC=CC(=C4C=CC=CC4=O)C3=NN2)O)C

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)N2C3=CC=C/C(=C/4\C=CC=CC4=O)/C3=NN2)O)C

InChI

InChI=1S/C27H31N3O2/c1-5-6-9-15-27(3,4)19-16-18(2)26(32)23(17-19)30-22-13-10-12-21(25(22)28-29-30)20-11-7-8-14-24(20)31/h7-8,10-14,16-17,29,32H,5-6,9,15H2,1-4H3/b21-20-