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

Systemtic Name: [4-[2-(hydroxymethyl)-3-oxidanyl-propyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[3-hydroxy-2-(hydroxymethyl)propyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[3-hydroxy-2-(hydroxymethyl)propyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-hydroxy-2-(hydroxymethyl)propyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3-hydroxy-2-methylol-propyl)-2-methoxy-phenyl] ester Formula: C18H22O6S MolecularWeight: 366.42868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CC(CO)CO)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CC(CO)CO)OC

InChI

InChI=1S/C18H22O6S/c1-13-3-6-16(7-4-13)25(21,22)24-17-8-5-14(10-18(17)23-2)9-15(11-19)12-20/h3-8,10,15,19-20H,9,11-12H2,1-2H3