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

Systemtic Name: [4-[4-(5-pent-4-enyl-1,3-dioxan-2-yl)phenyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[4-(5-pent-4-enyl-1,3-dioxan-2-yl)phenyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[4-(5-pent-4-enyl-1,3-dioxan-2-yl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-pent-4-enyl-1,3-dioxan-2-yl)phenyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[4-(5-pent-4-enyl-1,3-dioxan-2-yl)phenyl]phenyl] ester Formula: C28H30O5S MolecularWeight: 478.5998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4OCC(CO4)CCCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4OCC(CO4)CCCC=C

InChI

InChI=1S/C28H30O5S/c1-3-4-5-6-22-19-31-28(32-20-22)25-11-9-23(10-12-25)24-13-15-26(16-14-24)33-34(29,30)27-17-7-21(2)8-18-27/h3,7-18,22,28H,1,4-6,19-20H2,2H3