4-[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]butyl methanesulfonate

Systemtic Name: 4-[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]butyl methanesulfonate Openeye Name: 4-[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]butyl ester IUPAC Name: 4-[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]butyl methanesulfonate Traditional Name: methanesulfonic acid 4-[7-propyl-3-(trifluoromethyl)indoxazen-6-yl]butyl ester Formula: C16H20F3NO4S MolecularWeight: 379.39451

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1ON=C2C(F)(F)F)CCCCOS(=O)(=O)C

Isomeric SMILES

CCCC1=C(C=CC2=C1ON=C2C(F)(F)F)CCCCOS(=O)(=O)C

InChI

InChI=1S/C16H20F3NO4S/c1-3-6-12-11(7-4-5-10-23-25(2,21)22)8-9-13-14(12)24-20-15(13)16(17,18)19/h8-9H,3-7,10H2,1-2H3