[2,2-dimethyl-5-[(4-phenylmethoxyphenoxy)methyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2,2-dimethyl-5-[(4-phenylmethoxyphenoxy)methyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-[(4-benzyloxyphenoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-5-[(4-phenylmethoxyphenoxy)methyl]-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2,2-dimethyl-5-[(4-phenylmethoxyphenoxy)methyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(4-benzoxyphenoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester Formula: C27H30O7S MolecularWeight: 498.5879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)COC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)COC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30O7S/c1-20-9-15-24(16-10-20)35(28,29)32-19-26-25(33-27(2,3)34-26)18-31-23-13-11-22(12-14-23)30-17-21-7-5-4-6-8-21/h4-16,25-26H,17-19H2,1-3H3