[3-(3-bromanyl-1,4-dimethoxy-naphthalen-2-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(3-bromanyl-1,4-dimethoxy-naphthalen-2-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(3-bromo-1,4-dimethoxy-2-naphthyl)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(3-bromo-1,4-dimethoxy-2-naphthalenyl)-2-hydroxypropyl] ester IUPAC Name: [3-(3-bromo-1,4-dimethoxynaphthalen-2-yl)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(3-bromo-1,4-dimethoxy-2-naphthyl)-2-hydroxy-propyl] ester Formula: C22H23BrO6S MolecularWeight: 495.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=C(C3=CC=CC=C3C(=C2Br)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=C(C3=CC=CC=C3C(=C2Br)OC)OC)O

InChI

InChI=1S/C22H23BrO6S/c1-14-8-10-16(11-9-14)30(25,26)29-13-15(24)12-19-20(23)22(28-3)18-7-5-4-6-17(18)21(19)27-2/h4-11,15,24H,12-13H2,1-3H3