disodium (Z)-2-propan-2-yl-3-(pyridin-3-ylmethyl)but-2-enedioate

Systemtic Name: disodium (Z)-2-propan-2-yl-3-(pyridin-3-ylmethyl)but-2-enedioate Openeye Name: disodium (Z)-2-isopropyl-3-(3-pyridylmethyl)but-2-enedioate CAS Name: disodium (Z)-2-propan-2-yl-3-(3-pyridinylmethyl)-2-butenedioate IUPAC Name: disodium (Z)-2-propan-2-yl-3-(pyridin-3-ylmethyl)but-2-enedioate Traditional Name: disodium (Z)-2-isopropyl-3-(3-pyridylmethyl)but-2-enedioate Formula: C13H13NNa2O4 MolecularWeight: 293.22616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CN=CC=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)/C(=C(\CC1=CN=CC=C1)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H15NO4.2Na/c1-8(2)11(13(17)18)10(12(15)16)6-9-4-3-5-14-7-9;;/h3-5,7-8H,6H2,1-2H3,(H,15,16)(H,17,18);;/q;2*+1/p-2/b11-10-;;