1-(2-diethylaminoethylamino)-4-methoxy-xanthen-9-one; methanesulfonic acid

Systemtic Name: 1-(2-diethylaminoethylamino)-4-methoxy-xanthen-9-one; methanesulfonic acid Openeye Name: 1-(2-diethylaminoethylamino)-4-methoxy-xanthen-9-one; methanesulfonic acid CAS Name: 1-(2-diethylaminoethylamino)-4-methoxy-9-xanthenone; methanesulfonic acid IUPAC Name: 1-(2-diethylaminoethylamino)-4-methoxyxanthen-9-one; methanesulfonic acid Traditional Name: 1-(2-diethylaminoethylamino)-4-methoxy-xanthone; mesylic acid Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)OC)OC3=CC=CC=C3C2=O.CS(=O)(=O)O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)OC)OC3=CC=CC=C3C2=O.CS(=O)(=O)O

InChI

InChI=1S/C20H24N2O3.CH4O3S/c1-4-22(5-2)13-12-21-15-10-11-17(24-3)20-18(15)19(23)14-8-6-7-9-16(14)25-20;1-5(2,3)4/h6-11,21H,4-5,12-13H2,1-3H3;1H3,(H,2,3,4)