3-buta-1,3-dien-2-ylbenzenesulfonic acid

Systemtic Name: 3-buta-1,3-dien-2-ylbenzenesulfonic acid Openeye Name: 3-(1-methyleneallyl)benzenesulfonic acid CAS Name: 3-buta-1,3-dien-2-ylbenzenesulfonic acid IUPAC Name: 3-buta-1,3-dien-2-ylbenzenesulfonic acid Traditional Name: 3-(1-methyleneallyl)besylic acid Formula: C10H10O3S MolecularWeight: 210.2496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O3S/c1-3-8(2)9-5-4-6-10(7-9)14(11,12)13/h3-7H,1-2H2,(H,11,12,13)