calcium benzenesulfonic acid hydrate

Systemtic Name: calcium benzenesulfonic acid hydrate Openeye Name: calcium benzenesulfonic acid hydrate CAS Name: calcium benzenesulfonic acid hydrate IUPAC Name: calcium benzenesulfonic acid hydrate Traditional Name: calcium besylic acid hydrate Formula: C6H8CaO4S+2 MolecularWeight: 216.26832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.O.[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.O.[Ca+2]

InChI

InChI=1S/C6H6O3S.Ca.H2O/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H,7,8,9);;1H2/q;+2;