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

Systemtic Name: zinc 4-(octanoylamino)-2-oxidanyl-benzoate Openeye Name: zinc 2-hydroxy-4-(octanoylamino)benzoate CAS Name: zinc 2-hydroxy-4-(1-oxooctylamino)benzoate IUPAC Name: zinc 2-hydroxy-4-(octanoylamino)benzoate Traditional Name: zinc 4-(caprylylamino)-2-hydroxy-benzoate Formula: C30H40N2O8Zn MolecularWeight: 622.0562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H21NO4.Zn/c2*1-2-3-4-5-6-7-14(18)16-11-8-9-12(15(19)20)13(17)10-11;/h2*8-10,17H,2-7H2,1H3,(H,16,18)(H,19,20);/q;;+2/p-2