[2-(hydroxymethyl)-3-(3-methoxy-4-phenylmethoxy-phenyl)propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3-(3-methoxy-4-phenylmethoxy-phenyl)propyl] 4-methylbenzenesulfonate Openeye Name: [2-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)propyl] ester IUPAC Name: [2-(hydroxymethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-benzoxy-3-methoxy-benzyl)-3-hydroxy-propyl] ester Formula: C25H28O6S MolecularWeight: 457.543875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)[13CH2]C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H28O6S/c1-19-8-11-23(12-9-19)32(27,28)31-18-22(16-26)14-21-10-13-24(25(15-21)29-2)30-17-20-6-4-3-5-7-20/h3-13,15,22,26H,14,16-18H2,1-2H3/i14+1