sodium; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; (E)-2-phenylethenesulfonic acid

Systemtic Name: sodium; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; (E)-2-phenylethenesulfonic acid Openeye Name: sodium; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; (E)-2-phenylethenesulfonic acid CAS Name: sodium; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; (E)-2-phenylethenesulfonic acid IUPAC Name: sodium; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; (E)-2-phenylethenesulfonic acid Traditional Name: sodium; [(1E,3E)-5-methylhexa-1,3,5-trienyl]benzene; (E)-2-phenylethenesulfonic acid Formula: C21H22NaO3S+ MolecularWeight: 377.45235

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=CC=CC1=CC=CC=C1.C1=CC=C(C=C1)C=CS(=O)(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C13H14.C8H8O3S.Na/c1-12(2)8-6-7-11-13-9-4-3-5-10-13;9-12(10,11)7-6-8-4-2-1-3-5-8;/h3-11H,1H2,2H3;1-7H,(H,9,10,11);/q;;+1/b8-6+,11-7+;7-6+;