[2-(4-methyl-4-oxidanyl-3-oxidanylidene-hexyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(4-methyl-4-oxidanyl-3-oxidanylidene-hexyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(4-hydroxy-4-methyl-3-oxo-hexyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-hydroxy-4-methyl-3-oxohexyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [2-(4-hydroxy-4-methyl-3-oxohexyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-hydroxy-3-keto-4-methyl-hexyl)-1,3-dioxolan-2-yl]methyl ester Formula: C18H26O7S MolecularWeight: 386.45984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)CCC1(OCCO1)COS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCC(C)(C(=O)CCC1(OCCO1)COS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C18H26O7S/c1-4-17(3,20)16(19)9-10-18(23-11-12-24-18)13-25-26(21,22)15-7-5-14(2)6-8-15/h5-8,20H,4,9-13H2,1-3H3