[3-[2-(cyclopropylmethoxy)phenoxy]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[2-(cyclopropylmethoxy)phenoxy]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-(cyclopropylmethoxy)phenoxy]-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-(cyclopropylmethoxy)phenoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[2-(cyclopropylmethoxy)phenoxy]-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-(cyclopropylmethoxy)phenoxy]-2-hydroxy-propyl] ester Formula: C20H24O6S MolecularWeight: 392.46596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=CC=CC=C2OCC3CC3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=CC=CC=C2OCC3CC3)O

InChI

InChI=1S/C20H24O6S/c1-15-6-10-18(11-7-15)27(22,23)26-14-17(21)13-25-20-5-3-2-4-19(20)24-12-16-8-9-16/h2-7,10-11,16-17,21H,8-9,12-14H2,1H3