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

Systemtic Name: 1-[2-[4-(2-methylpropyl)phenyl]-4,7-dihydro-1,3-dioxepin-2-yl]ethyl methanesulfonate Openeye Name: 1-[2-(4-isobutylphenyl)-4,7-dihydro-1,3-dioxepin-2-yl]ethyl methanesulfonate CAS Name: methanesulfonic 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 methanesulfonate Traditional Name: methanesulfonic acid 1-[2-(4-isobutylphenyl)-4,7-dihydro-1,3-dioxepin-2-yl]ethyl ester Formula: C18H26O5S MolecularWeight: 354.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2(OCC=CCO2)C(C)OS(=O)(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2(OCC=CCO2)C(C)OS(=O)(=O)C

InChI

InChI=1S/C18H26O5S/c1-14(2)13-16-7-9-17(10-8-16)18(15(3)23-24(4,19)20)21-11-5-6-12-22-18/h5-10,14-15H,11-13H2,1-4H3