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sodium 2-[1-methyl-5-(3-propylphenyl)carbonyl-pyrrol-2-yl]ethanoate dihydrate

sodium 2-[1-methyl-5-(3-propylphenyl)carbonyl-pyrrol-2-yl]ethanoate dihydrate

Systemtic Name:sodium 2-[1-methyl-5-(3-propylphenyl)carbonyl-pyrrol-2-yl]ethanoate dihydrate
Openeye Name:sodium 2-[1-methyl-5-(3-propylbenzoyl)pyrrol-2-yl]acetate dihydrate
CAS Name:sodium 2-[1-methyl-5-[oxo-(3-propylphenyl)methyl]-2-pyrrolyl]acetate dihydrate
IUPAC Name:sodium 2-[1-methyl-5-(3-propylbenzoyl)pyrrol-2-yl]acetate dihydrate
Traditional Name:sodium 2-[1-methyl-5-(3-propylbenzoyl)pyrrol-2-yl]acetate dihydrate
Formula: C17H22NNaO5
MolecularWeight: 343.35005
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].O.O.[Na+]


Isomeric SMILES

CCCC1=CC=CC(=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].O.O.[Na+]


InChI

InChI=1S/C17H19NO3.Na.2H2O/c1-3-5-12-6-4-7-13(10-12)17(21)15-9-8-14(18(15)2)11-16(19)20;;;/h4,6-10H,3,5,11H2,1-2H3,(H,19,20);;2*1H2/q;+1;;/p-1


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