Benzoic acid, 2-(acetyloxy)-, calcium complex

CAS Name

Calcium, bis[2-(acetyloxy)benzoato](urea-O)-

Molecular Formula

C₁₉H₁₈CaN₂O₉

Other Names and Identifiers

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

InChIKey

InChIKey=VYMUGTALCSPLDM-UHFFFAOYSA-L

SMILES

O(=C(N)N)[Ca+2]12([O-]C(=O)C=3C(OC(C)=O1)=CC=CC3)[O-]C(=O)C=4C(OC(C)=O2)=CC=CC4

Canonical SMILES

O=C1[O-][Ca+2]2(O=C(OC=3C=CC=CC13)C)(O=C(OC=4C=CC=CC4C(=O)[O-]2)C)O=C(N)N

Other Names for this Substance