(4-methyl-2-oxidanyl-3-prop-2-enyl-phenyl) 3-methylbenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanyl-3-prop-2-enyl-phenyl) 3-methylbenzenesulfonate Openeye Name: (3-allyl-2-hydroxy-4-methyl-phenyl) 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid (2-hydroxy-4-methyl-3-prop-2-enylphenyl) ester IUPAC Name: (2-hydroxy-4-methyl-3-prop-2-enylphenyl) 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid (3-allyl-2-hydroxy-4-methyl-phenyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=C(C(=C(C=C2)C)CC=C)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=C(C(=C(C=C2)C)CC=C)O

InChI

InChI=1S/C17H18O4S/c1-4-6-15-13(3)9-10-16(17(15)18)21-22(19,20)14-8-5-7-12(2)11-14/h4-5,7-11,18H,1,6H2,2-3H3