calcium 3-benzamidopropane-1-sulfonate

Systemtic Name: calcium 3-benzamidopropane-1-sulfonate Openeye Name: calcium 3-benzamidopropane-1-sulfonate CAS Name: calcium 3-benzamido-1-propanesulfonate IUPAC Name: calcium 3-benzamidopropane-1-sulfonate Traditional Name: calcium 3-benzamidopropane-1-sulfonate Formula: C10H12CaNO4S+ MolecularWeight: 282.34958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4S.Ca/c12-10(9-5-2-1-3-6-9)11-7-4-8-16(13,14)15;/h1-3,5-6H,4,7-8H2,(H,11,12)(H,13,14,15);/q;+2/p-1