1-[2-[4-(2-methylpropyl)phenyl]-4,7-dihydro-1,3-dioxepin-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-[2-[4-(2-methylpropyl)phenyl]-4,7-dihydro-1,3-dioxepin-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 1-[2-(4-isobutylphenyl)-4,7-dihydro-1,3-dioxepin-2-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[2-[4-(2-methylpropyl)phenyl]-4,7-dihydro-1,3-dioxepin-2-yl]ethyl ester IUPAC Name: 1-[2-[4-(2-methylpropyl)phenyl]-4,7-dihydro-1,3-dioxepin-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[2-(4-isobutylphenyl)-4,7-dihydro-1,3-dioxepin-2-yl]ethyl ester Formula: C24H30O5S MolecularWeight: 430.557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2(OCC=CCO2)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2(OCC=CCO2)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C24H30O5S/c1-18(2)17-21-9-11-22(12-10-21)24(27-15-5-6-16-28-24)20(4)29-30(25,26)23-13-7-19(3)8-14-23/h5-14,18,20H,15-17H2,1-4H3