2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonic acid

Systemtic Name: 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonic acid Openeye Name: isoprene; (E)-2-phenylethenesulfonic acid CAS Name: 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonic acid IUPAC Name: 2-methylbuta-1,3-diene; (E)-2-phenylethenesulfonic acid Traditional Name: isoprene; (E)-2-phenylethenesulfonic acid Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=C.C1=CC=C(C=C1)C=CS(=O)(=O)O

Isomeric SMILES

CC(=C)C=C.C1=CC=C(C=C1)/C=C/S(=O)(=O)O

InChI

InChI=1S/C8H8O3S.C5H8/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-4-5(2)3/h1-7H,(H,9,10,11);4H,1-2H2,3H3/b7-6+;