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calcium 4-(octadecylcarbamoyl)benzoate

calcium 4-(octadecylcarbamoyl)benzoate

Systemtic Name:calcium 4-(octadecylcarbamoyl)benzoate
Openeye Name:calcium 4-(octadecylcarbamoyl)benzoate
CAS Name:calcium 4-[(octadecylamino)-oxomethyl]benzoate
IUPAC Name:calcium 4-(octadecylcarbamoyl)benzoate
Traditional Name:calcium 4-(stearylcarbamoyl)benzoate
Formula: C52H84CaN2O6
MolecularWeight: 873.31116
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C26H43NO3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h2*18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);/q;;+2/p-2


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