3-phenylbut-3-enyl ethanoate; sulfuric acid

Systemtic Name: 3-phenylbut-3-enyl ethanoate; sulfuric acid Openeye Name: 3-phenylbut-3-enyl acetate; sulfuric acid CAS Name: acetic acid 3-phenylbut-3-enyl ester; sulfuric acid IUPAC Name: 3-phenylbut-3-enyl acetate; sulfuric acid Traditional Name: acetic acid 3-phenylbut-3-enyl ester; sulfuric acid Formula: C12H16O6S MolecularWeight: 288.31684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(=C)C1=CC=CC=C1.OS(=O)(=O)O

Isomeric SMILES

CC(=O)OCCC(=C)C1=CC=CC=C1.OS(=O)(=O)O

InChI

InChI=1S/C12H14O2.H2O4S/c1-10(8-9-14-11(2)13)12-6-4-3-5-7-12;1-5(2,3)4/h3-7H,1,8-9H2,2H3;(H2,1,2,3,4)