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calcium 4-[ethanoyl(sulfanyl)amino]benzoate

calcium 4-[ethanoyl(sulfanyl)amino]benzoate

Systemtic Name:calcium 4-[ethanoyl(sulfanyl)amino]benzoate
Openeye Name:calcium 4-[acetyl(sulfanyl)amino]benzoate
CAS Name:calcium 4-[acetyl(mercapto)amino]benzoate
IUPAC Name:calcium 4-[acetyl(sulfanyl)amino]benzoate
Traditional Name:calcium 4-[acetyl(mercapto)amino]benzoate
Formula: C9H8CaNO3S+
MolecularWeight: 250.30772
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H9NO3S.Ca/c1-6(11)10(14)8-4-2-7(3-5-8)9(12)13;/h2-5,14H,1H3,(H,12,13);/q;+2/p-1


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