azanium calcium 4-methylbenzenesulfonate

Systemtic Name: azanium calcium 4-methylbenzenesulfonate Openeye Name: ammonium calcium 4-methylbenzenesulfonate CAS Name: ammonium calcium 4-methylbenzenesulfonate IUPAC Name: azanium calcium 4-methylbenzenesulfonate Traditional Name: ammonium calcium tritosylate Formula: C21H25CaNO9S3 MolecularWeight: 571.6975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[NH4+].[Ca+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[NH4+].[Ca+2]

InChI

InChI=1S/3C7H8O3S.Ca.H3N/c3*1-6-2-4-7(5-3-6)11(8,9)10;;/h3*2-5H,1H3,(H,8,9,10);;1H3/q;;;+2;/p-2