calcium; 2-acetyloxybenzoate; urea

Systemtic Name: calcium; 2-acetyloxybenzoate; urea Openeye Name: calcium; 2-acetoxybenzoate; urea CAS Name: calcium; 2-acetyloxybenzoate; urea IUPAC Name: calcium; 2-acetyloxybenzoate; urea Traditional Name: calcium; 2-acetoxybenzoate; urea Formula: C19H18CaN2O9 MolecularWeight: 458.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]

InChI

InChI=1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2