3-butyl-4-methyl-benzene-1,2-diol; 5,6,7,8-tetrahydronaphthalene-1,2-diol; zirconium

Systemtic Name: 3-butyl-4-methyl-benzene-1,2-diol; 5,6,7,8-tetrahydronaphthalene-1,2-diol; zirconium Openeye Name: 3-butyl-4-methyl-benzene-1,2-diol; tetralin-5,6-diol; zirconium CAS Name: 3-butyl-4-methylbenzene-1,2-diol; 5,6,7,8-tetrahydronaphthalene-1,2-diol; zirconium IUPAC Name: 3-butyl-4-methylbenzene-1,2-diol; 5,6,7,8-tetrahydronaphthalene-1,2-diol; zirconium Traditional Name: 3-butyl-4-methyl-pyrocatechol; tetralin-5,6-diol; zirconium Formula: C21H28O4Zr MolecularWeight: 435.66862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1O)O)C.C1CCC2=C(C1)C=CC(=C2O)O.[Zr]

Isomeric SMILES

CCCCC1=C(C=CC(=C1O)O)C.C1CCC2=C(C1)C=CC(=C2O)O.[Zr]

InChI

InChI=1S/C11H16O2.C10H12O2.Zr/c1-3-4-5-9-8(2)6-7-10(12)11(9)13;11-9-6-5-7-3-1-2-4-8(7)10(9)12;/h6-7,12-13H,3-5H2,1-2H3;5-6,11-12H,1-4H2;