calcium 2-acetyloxybenzoic acid hydrate

Systemtic Name: calcium 2-acetyloxybenzoic acid hydrate Openeye Name: calcium 2-acetoxybenzoic acid hydrate CAS Name: calcium 2-acetyloxybenzoic acid hydrate IUPAC Name: calcium 2-acetyloxybenzoic acid hydrate Traditional Name: calcium 2-acetoxybenzoic acid hydrate Formula: C9H10CaO5+2 MolecularWeight: 238.2507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O4.Ca.H2O/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;;/h2-5H,1H3,(H,11,12);;1H2/q;+2;