[2-(5-methyl-5-oxidanyl-heptyl)-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(5-methyl-5-oxidanyl-heptyl)-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-(5-hydroxy-5-methyl-heptyl)-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(5-hydroxy-5-methylheptyl)-1,3-dioxolan-2-yl] ester IUPAC Name: [2-(5-hydroxy-5-methylheptyl)-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(5-hydroxy-5-methyl-heptyl)-1,3-dioxolan-2-yl] ester Formula: C18H28O6S MolecularWeight: 372.47632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCCCC1(OCCO1)OS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCC(C)(CCCCC1(OCCO1)OS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C18H28O6S/c1-4-17(3,19)11-5-6-12-18(22-13-14-23-18)24-25(20,21)16-9-7-15(2)8-10-16/h7-10,19H,4-6,11-14H2,1-3H3