zinc 2-methyl-6-oxidanyl-3,5-bis(2-phenylpropan-2-yl)benzoate hydrate

Systemtic Name: zinc 2-methyl-6-oxidanyl-3,5-bis(2-phenylpropan-2-yl)benzoate hydrate Openeye Name: zinc 2-hydroxy-6-methyl-3,5-bis(1-methyl-1-phenyl-ethyl)benzoate hydrate CAS Name: zinc 2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoate hydrate IUPAC Name: zinc 2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoate hydrate Traditional Name: zinc 3,5-dicumyl-2-hydroxy-6-methyl-benzoate hydrate Formula: C52H56O7Zn MolecularWeight: 858.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3)O)C(=O)[O-].CC1=C(C(=C(C=C1C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3)O)C(=O)[O-].O.[Zn+2]

Isomeric SMILES

CC1=C(C(=C(C=C1C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3)O)C(=O)[O-].CC1=C(C(=C(C=C1C(C)(C)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3)O)C(=O)[O-].O.[Zn+2]

InChI

InChI=1S/2C26H28O3.H2O.Zn/c2*1-17-20(25(2,3)18-12-8-6-9-13-18)16-21(23(27)22(17)24(28)29)26(4,5)19-14-10-7-11-15-19;;/h2*6-16,27H,1-5H3,(H,28,29);1H2;/q;;;+2/p-2