sodium; 2-methylpropane; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid

Systemtic Name: sodium; 2-methylpropane; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid Openeye Name: sodium; 2-methylpropane; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid CAS Name: sodium; 2-methylpropane; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid IUPAC Name: sodium; 2-methylpropane; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid Traditional Name: sodium; 2-methylpropane; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid Formula: C28H31NaO3S MolecularWeight: 470.59871

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Descriptors Computed from Structure

Canonical SMILES:

C[C-](C)C.C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CS(=O)(=O)O.[Na+]

Isomeric SMILES

C[C-](C)C.C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H14.C8H8O3S.C4H9.Na/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;9-12(10,11)7-6-8-4-2-1-3-5-8;1-4(2)3;/h1-14H;1-7H,(H,9,10,11);1-3H3;/q;;-1;+1/b13-7+,14-8+;7-6+;;