2-[2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenoxy]ethoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-[4-[2,6-bis(2-pyridyl)-4-pyridyl]phenoxy]ethoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-[4-[2,6-bis(2-pyridinyl)-4-pyridinyl]phenoxy]ethoxy]ethyl ester IUPAC Name: 2-[2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenoxy]ethoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-[4-[2,6-bis(2-pyridyl)-4-pyridyl]phenoxy]ethoxy]ethyl ester Formula: C32H29N3O5S MolecularWeight: 567.65476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOC2=CC=C(C=C2)C3=CC(=NC(=C3)C4=CC=CC=N4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOC2=CC=C(C=C2)C3=CC(=NC(=C3)C4=CC=CC=N4)C5=CC=CC=N5

InChI

InChI=1S/C32H29N3O5S/c1-24-8-14-28(15-9-24)41(36,37)40-21-19-38-18-20-39-27-12-10-25(11-13-27)26-22-31(29-6-2-4-16-33-29)35-32(23-26)30-7-3-5-17-34-30/h2-17,22-23H,18-21H2,1H3