[1,4-bis(oxidanyl)-3-phenylmethoxy-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,4-bis(oxidanyl)-3-phenylmethoxy-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-benzyloxy-3-hydroxy-1-(hydroxymethyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,4-dihydroxy-3-phenylmethoxybutan-2-yl) ester IUPAC Name: (1,4-dihydroxy-3-phenylmethoxybutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzoxy-3-hydroxy-1-methylol-propyl) ester Formula: C18H22O6S MolecularWeight: 366.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)C(CO)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)C(CO)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22O6S/c1-14-7-9-16(10-8-14)25(21,22)24-18(12-20)17(11-19)23-13-15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3