sodium; (1E)-3-butoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonate; ethenylbenzene

Systemtic Name: sodium; (1E)-3-butoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonate; ethenylbenzene Openeye Name: sodium; (1E)-3-butoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonate; styrene CAS Name: sodium; (1E)-3-[butoxy(oxo)methyl]-1-phenyl-2-buta-1,3-dienesulfonate; styrene IUPAC Name: sodium; (1E)-3-butoxycarbonyl-1-phenylbuta-1,3-diene-2-sulfonate; styrene Traditional Name: sodium; (1E)-3-butoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonate; styrene Formula: C23H25NaO5S MolecularWeight: 436.49637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S.C8H8.Na/c1-3-4-10-20-15(16)12(2)14(21(17,18)19)11-13-8-6-5-7-9-13;1-2-8-6-4-3-5-7-8;/h5-9,11H,2-4,10H2,1H3,(H,17,18,19);2-7H,1H2;/q;;+1/p-1/b14-11+;;