sodium; 2-methylidenehexanoate; (E)-2-phenylethenesulfonic acid

Systemtic Name: sodium; 2-methylidenehexanoate; (E)-2-phenylethenesulfonic acid Openeye Name: sodium; 2-methylenehexanoate; (E)-2-phenylethenesulfonic acid CAS Name: sodium; 2-methylenehexanoate; (E)-2-phenylethenesulfonic acid IUPAC Name: sodium; 2-methylidenehexanoate; (E)-2-phenylethenesulfonic acid Traditional Name: sodium; 2-butylacrylate; (E)-2-phenylethenesulfonic acid Formula: C15H19NaO5S MolecularWeight: 334.36313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)[O-].C1=CC=C(C=C1)C=CS(=O)(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C8H8O3S.C7H12O2.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-3-4-5-6(2)7(8)9;/h1-7H,(H,9,10,11);2-5H2,1H3,(H,8,9);/q;;+1/p-1/b7-6+;;