sodium; 3-bromanylpropylbenzene; (2E)-2-(3-phenylpropoxyimino)propanoate

Systemtic Name: sodium; 3-bromanylpropylbenzene; (2E)-2-(3-phenylpropoxyimino)propanoate Openeye Name: sodium; 3-bromopropylbenzene; (2E)-2-(3-phenylpropoxyimino)propanoate CAS Name: sodium; 3-bromopropylbenzene; (2E)-2-(3-phenylpropoxyimino)propanoate IUPAC Name: sodium; 3-bromopropylbenzene; (2E)-2-(3-phenylpropoxyimino)propanoate Traditional Name: sodium; 3-bromopropylbenzene; (2E)-2-(3-phenylpropyloximino)propionate Formula: C21H25BrNNaO3 MolecularWeight: 442.32187

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCCCC1=CC=CC=C1)C(=O)[O-].C1=CC=C(C=C1)CCCBr.[Na+]

Isomeric SMILES

C/C(=N\OCCCC1=CC=CC=C1)/C(=O)[O-].C1=CC=C(C=C1)CCCBr.[Na+]

InChI

InChI=1S/C12H15NO3.C9H11Br.Na/c1-10(12(14)15)13-16-9-5-8-11-6-3-2-4-7-11;10-8-4-7-9-5-2-1-3-6-9;/h2-4,6-7H,5,8-9H2,1H3,(H,14,15);1-3,5-6H,4,7-8H2;/q;;+1/p-1/b13-10+;;