[2-[3-(dipropylamino)propoxy]phenyl]-phenyl-methanol; methyl 2-methylbenzenesulfonate

Systemtic Name: [2-[3-(dipropylamino)propoxy]phenyl]-phenyl-methanol; methyl 2-methylbenzenesulfonate Openeye Name: [2-[3-(dipropylamino)propoxy]phenyl]-phenyl-methanol; methyl 2-methylbenzenesulfonate CAS Name: [2-[3-(dipropylamino)propoxy]phenyl]-phenylmethanol; 2-methylbenzenesulfonic acid methyl ester IUPAC Name: [2-[3-(dipropylamino)propoxy]phenyl]-phenylmethanol; methyl 2-methylbenzenesulfonate Traditional Name: [2-[3-(dipropylamino)propoxy]phenyl]-phenyl-methanol; 2-methylbenzenesulfonic acid methyl ester Formula: C30H41NO5S MolecularWeight: 527.71524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.CC1=CC=CC=C1S(=O)(=O)OC

Isomeric SMILES

CCCN(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.CC1=CC=CC=C1S(=O)(=O)OC

InChI

InChI=1S/C22H31NO2.C8H10O3S/c1-3-15-23(16-4-2)17-10-18-25-21-14-9-8-13-20(21)22(24)19-11-6-5-7-12-19;1-7-5-3-4-6-8(7)12(9,10)11-2/h5-9,11-14,22,24H,3-4,10,15-18H2,1-2H3;3-6H,1-2H3