[8-(2-diethylaminoethylamino)-9-oxidanylidene-xanthen-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [8-(2-diethylaminoethylamino)-9-oxidanylidene-xanthen-2-yl] 4-methylbenzenesulfonate Openeye Name: [8-(2-diethylaminoethylamino)-9-oxo-xanthen-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [8-(2-diethylaminoethylamino)-9-oxo-2-xanthenyl] ester IUPAC Name: [8-(2-diethylaminoethylamino)-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [8-(2-diethylaminoethylamino)-9-keto-xanthen-2-yl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=CC=C1)OC3=C(C2=O)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(CC)CCNC1=C2C(=CC=C1)OC3=C(C2=O)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H28N2O5S/c1-4-28(5-2)16-15-27-22-7-6-8-24-25(22)26(29)21-17-19(11-14-23(21)32-24)33-34(30,31)20-12-9-18(3)10-13-20/h6-14,17,27H,4-5,15-16H2,1-3H3