calcium 6-benzamido-2-oxidanyl-hexanoate

Systemtic Name: calcium 6-benzamido-2-oxidanyl-hexanoate Openeye Name: calcium 6-benzamido-2-hydroxy-hexanoate CAS Name: calcium 6-benzamido-2-hydroxyhexanoate IUPAC Name: calcium 6-benzamido-2-hydroxyhexanoate Traditional Name: calcium 6-benzamido-2-hydroxy-hexanoate Formula: C26H32CaN2O8 MolecularWeight: 540.61888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H17NO4.Ca/c2*15-11(13(17)18)8-4-5-9-14-12(16)10-6-2-1-3-7-10;/h2*1-3,6-7,11,15H,4-5,8-9H2,(H,14,16)(H,17,18);/q;;+2/p-2