2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-methyl-benzenesulfonate

Systemtic Name: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-methyl-benzenesulfonate Openeye Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-methyl-benzenesulfonate CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-5-methylbenzenesulfonate IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-methylbenzenesulfonate Traditional Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-methyl-besylate Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C)S(=O)(=O)[O-]

InChI

InChI=1S/C28H32N2O4S/c1-6-29(7-2)20-11-14-22-25(17-20)34-26-18-21(30(8-3)9-4)12-15-23(26)28(22)24-13-10-19(5)16-27(24)35(31,32)33/h10-18H,6-9H2,1-5H3