disodium (Z)-2-ethyl-3-(phenylmethyl)but-2-enedioate

Systemtic Name: disodium (Z)-2-ethyl-3-(phenylmethyl)but-2-enedioate Openeye Name: disodium (Z)-2-benzyl-3-ethyl-but-2-enedioate CAS Name: disodium (Z)-2-ethyl-3-(phenylmethyl)-2-butenedioate IUPAC Name: disodium (Z)-2-benzyl-3-ethylbut-2-enedioate Traditional Name: disodium (Z)-2-benzyl-3-ethyl-but-2-enedioate Formula: C13H12Na2O4 MolecularWeight: 278.21152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4.2Na/c1-2-10(12(14)15)11(13(16)17)8-9-6-4-3-5-7-9;;/h3-7H,2,8H2,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2/b11-10-;;