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calcium 3-(4-methylphenyl)butanoate

calcium 3-(4-methylphenyl)butanoate

Systemtic Name:calcium 3-(4-methylphenyl)butanoate
Openeye Name:calcium 3-(p-tolyl)butanoate
CAS Name:calcium 3-(4-methylphenyl)butanoate
IUPAC Name:calcium 3-(4-methylphenyl)butanoate
Traditional Name:calcium 3-(p-tolyl)butyrate
Formula: C22H26CaO4
MolecularWeight: 394.51744
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)CC(=O)[O-].CC1=CC=C(C=C1)C(C)CC(=O)[O-].[Ca+2]


Isomeric SMILES

CC1=CC=C(C=C1)C(C)CC(=O)[O-].CC1=CC=C(C=C1)C(C)CC(=O)[O-].[Ca+2]


InChI

InChI=1S/2C11H14O2.Ca/c2*1-8-3-5-10(6-4-8)9(2)7-11(12)13;/h2*3-6,9H,7H2,1-2H3,(H,12,13);/q;;+2/p-2


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