4-methyl-2-[4-methyl-2-(oxan-2-yloxy)pentyl]benzenesulfonate

Systemtic Name: 4-methyl-2-[4-methyl-2-(oxan-2-yloxy)pentyl]benzenesulfonate Openeye Name: 4-methyl-2-(4-methyl-2-tetrahydropyran-2-yloxy-pentyl)benzenesulfonate CAS Name: 4-methyl-2-[4-methyl-2-(2-oxanyloxy)pentyl]benzenesulfonate IUPAC Name: 4-methyl-2-[4-methyl-2-(oxan-2-yloxy)pentyl]benzenesulfonate Traditional Name: 4-methyl-2-(4-methyl-2-tetrahydropyran-2-yloxy-pentyl)besylate Formula: C18H27O5S- MolecularWeight: 355.46898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC(CC(C)C)OC2CCCCO2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC(CC(C)C)OC2CCCCO2

InChI

InChI=1S/C18H28O5S/c1-13(2)10-16(23-18-6-4-5-9-22-18)12-15-11-14(3)7-8-17(15)24(19,20)21/h7-8,11,13,16,18H,4-6,9-10,12H2,1-3H3,(H,19,20,21)/p-1