zinc 4-(decoxycarbonylamino)-2-oxidanyl-benzoate

Systemtic Name: zinc 4-(decoxycarbonylamino)-2-oxidanyl-benzoate Openeye Name: zinc 4-(decoxycarbonylamino)-2-hydroxy-benzoate CAS Name: zinc 4-[[decoxy(oxo)methyl]amino]-2-hydroxybenzoate IUPAC Name: zinc 4-(decoxycarbonylamino)-2-hydroxybenzoate Traditional Name: zinc 4-(decoxycarbonylamino)-2-hydroxy-benzoate Formula: C36H52N2O10Zn MolecularWeight: 738.21448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O.CCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O.[Zn+2]

Isomeric SMILES

CCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O.CCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O.[Zn+2]

InChI

InChI=1S/2C18H27NO5.Zn/c2*1-2-3-4-5-6-7-8-9-12-24-18(23)19-14-10-11-15(17(21)22)16(20)13-14;/h2*10-11,13,20H,2-9,12H2,1H3,(H,19,23)(H,21,22);/q;;+2/p-2