[4-[4-(5-hexyl-1,3-dioxan-2-yl)phenyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[4-(5-hexyl-1,3-dioxan-2-yl)phenyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[4-(5-hexyl-1,3-dioxan-2-yl)phenyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[4-(5-hexyl-1,3-dioxan-2-yl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-hexyl-1,3-dioxan-2-yl)phenyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[4-(5-hexyl-1,3-dioxan-2-yl)phenyl]phenyl] ester Formula: C29H34O5S MolecularWeight: 494.64226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1COC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCC1COC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H34O5S/c1-3-4-5-6-7-23-20-32-29(33-21-23)26-12-10-24(11-13-26)25-14-16-27(17-15-25)34-35(30,31)28-18-8-22(2)9-19-28/h8-19,23,29H,3-7,20-21H2,1-2H3