sodium [(2E)-5-methylhexa-2,4-dienoyl]-sulfo-azanide

Systemtic Name: sodium [(2E)-5-methylhexa-2,4-dienoyl]-sulfo-azanide Openeye Name: sodium [(2E)-5-methylhexa-2,4-dienoyl]-sulfo-azanide CAS Name: sodium [(2E)-5-methyl-1-oxohexa-2,4-dienyl]-sulfoazanide IUPAC Name: sodium [(2E)-5-methylhexa-2,4-dienoyl]-sulfoazanide Traditional Name: sodium [(2E)-5-methylhexa-2,4-dienoyl]-sulfo-azanide Formula: C7H10NNaO4S MolecularWeight: 227.21337

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC(=O)[N-]S(=O)(=O)O)C.[Na+]

Isomeric SMILES

CC(=C/C=C/C(=O)[N-]S(=O)(=O)O)C.[Na+]

InChI

InChI=1S/C7H11NO4S.Na/c1-6(2)4-3-5-7(9)8-13(10,11)12;/h3-5H,1-2H3,(H2,8,9,10,11,12);/q;+1/p-1/b5-3+;