1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; ethanesulfonic acid

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; ethanesulfonic acid Openeye Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; ethanesulfonic acid CAS Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-9-thioxanthenone; ethanesulfonic acid IUPAC Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; ethanesulfonic acid Traditional Name: 1-(2-diethylaminoethylamino)-4-methylol-thioxanthen-9-one; esylic acid Formula: C22H30N2O5S2 MolecularWeight: 466.614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CCS(=O)(=O)O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CCS(=O)(=O)O

InChI

InChI=1S/C20H24N2O2S.C2H6O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-2-6(3,4)5/h5-10,21,23H,3-4,11-13H2,1-2H3;2H2,1H3,(H,3,4,5)