sodium (E)-3-(4-sulfophenyl)prop-2-enoate

Systemtic Name: sodium (E)-3-(4-sulfophenyl)prop-2-enoate Openeye Name: sodium (E)-3-(4-sulfophenyl)prop-2-enoate CAS Name: sodium (E)-3-(4-sulfophenyl)-2-propenoate IUPAC Name: sodium (E)-3-(4-sulfophenyl)prop-2-enoate Traditional Name: sodium (E)-3-(4-sulfophenyl)acrylate Formula: C9H7NaO5S MolecularWeight: 250.20365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C9H8O5S.Na/c10-9(11)6-3-7-1-4-8(5-2-7)15(12,13)14;/h1-6H,(H,10,11)(H,12,13,14);/q;+1/p-1/b6-3+;