calcium [2-(acetamidomethyl)phenyl]methanesulfonate

Systemtic Name: calcium [2-(acetamidomethyl)phenyl]methanesulfonate Openeye Name: calcium [2-(acetamidomethyl)phenyl]methanesulfonate CAS Name: calcium [2-(acetamidomethyl)phenyl]methanesulfonate IUPAC Name: calcium [2-(acetamidomethyl)phenyl]methanesulfonate Traditional Name: calcium [2-(acetamidomethyl)phenyl]methanesulfonate Formula: C10H12CaNO4S+ MolecularWeight: 282.34958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=CC=C1CS(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC(=O)NCC1=CC=CC=C1CS(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C10H13NO4S.Ca/c1-8(12)11-6-9-4-2-3-5-10(9)7-16(13,14)15;/h2-5H,6-7H2,1H3,(H,11,12)(H,13,14,15);/q;+2/p-1