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4-benzamido-2-oxidanyl-benzoic acid; calcium; pentahydrate

4-benzamido-2-oxidanyl-benzoic acid; calcium; pentahydrate

Systemtic Name:4-benzamido-2-oxidanyl-benzoic acid; calcium; pentahydrate
Openeye Name:4-benzamido-2-hydroxy-benzoic acid; calcium; pentahydrate
CAS Name:4-benzamido-2-hydroxybenzoic acid; calcium; pentahydrate
IUPAC Name:4-benzamido-2-hydroxybenzoic acid; calcium; pentahydrate
Traditional Name:4-benzamido-2-hydroxy-benzoic acid; calcium; pentahydrate
Formula: C28H32CaN2O13
MolecularWeight: 644.63728
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O.C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O.O.O.O.O.O.[Ca]


Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O.C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O.O.O.O.O.O.[Ca]


InChI

InChI=1S/2C14H11NO4.Ca.5H2O/c2*16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;;;;;;/h2*1-8,16H,(H,15,17)(H,18,19);;5*1H2


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