2-[3-(benzotriazol-2-yl)-5-methyl-4-oxidanyl-phenyl]ethanoic acid; carbanide; yttrium

Systemtic Name: 2-[3-(benzotriazol-2-yl)-5-methyl-4-oxidanyl-phenyl]ethanoic acid; carbanide; yttrium Openeye Name: 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methyl-phenyl]acetic acid; carbanide; yttrium CAS Name: 2-[3-(2-benzotriazolyl)-4-hydroxy-5-methylphenyl]acetic acid; carbanide; yttrium IUPAC Name: 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]acetic acid; carbanide; yttrium Traditional Name: 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methyl-phenyl]acetic acid; carbanide; yttrium Formula: C16H16N3O3Y- MolecularWeight: 387.22239

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC1=C(C(=CC(=C1)CC(=O)O)N2N=C3C=CC=CC3=N2)O.[Y]

Isomeric SMILES

[CH3-].CC1=C(C(=CC(=C1)CC(=O)O)N2N=C3C=CC=CC3=N2)O.[Y]

InChI

InChI=1S/C15H13N3O3.CH3.Y/c1-9-6-10(8-14(19)20)7-13(15(9)21)18-16-11-4-2-3-5-12(11)17-18;;/h2-7,21H,8H2,1H3,(H,19,20);1H3;/q;-1;