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

Systemtic Name: sodium; 1-methyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid Openeye Name: sodium; 1-methyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid CAS Name: sodium; 1-methyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid IUPAC Name: sodium; 1-methyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid Traditional Name: sodium; 1-methyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; (E)-2-phenylethenesulfonic acid Formula: C25H24NaO3S+ MolecularWeight: 427.51103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CS(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/S(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H16.C8H8O3S.Na/c1-15-8-7-13-17(14-15)12-6-5-11-16-9-3-2-4-10-16;9-12(10,11)7-6-8-4-2-1-3-5-8;/h2-14H,1H3;1-7H,(H,9,10,11);/q;;+1/b11-5+,12-6+;7-6+;