[1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-hexyl] 4-methylbenzenesulfonate

Systemtic Name: [1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-hexyl] 4-methylbenzenesulfonate Openeye Name: [1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxyhexyl] ester IUPAC Name: [1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(2-heptadecyl-1,3-dioxolan-4-yl)-6-methoxy-hexyl] ester Formula: C34H60O6S MolecularWeight: 596.9016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)C(CCCCCOC)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)C(CCCCCOC)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C34H60O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-34-38-29-33(39-34)32(22-19-18-21-28-37-3)40-41(35,36)31-26-24-30(2)25-27-31/h24-27,32-34H,4-23,28-29H2,1-3H3