sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; 2-methylbuta-1,3-diene

Systemtic Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; 2-methylbuta-1,3-diene Openeye Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; isoprene CAS Name: sodium; (1Z,3E)-1,4-diphenyl-2-buta-1,3-dienesulfonic acid; 2-methylbuta-1,3-diene IUPAC Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; 2-methylbuta-1,3-diene Traditional Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; isoprene Formula: C21H22NaO3S+ MolecularWeight: 377.45235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O3S.C5H8.Na/c17-20(18,19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14;1-4-5(2)3;/h1-13H,(H,17,18,19);4H,1-2H2,3H3;/q;;+1/b12-11+,16-13-;;