N,N-diethyl-6-ethylimino-9-[4-methylsulfonyl-2-(trioxidanylsulfanyl)phenyl]xanthen-3-amine

Systemtic Name: N,N-diethyl-6-ethylimino-9-[4-methylsulfonyl-2-(trioxidanylsulfanyl)phenyl]xanthen-3-amine Openeye Name: N,N-diethyl-6-ethylimino-9-[4-methylsulfonyl-2-(trioxidanylsulfanyl)phenyl]xanthen-3-amine CAS Name: 2-[3-(diethylamino)-6-ethylimino-9-xanthenyl]-5-methylsulfonylbenzenesulfenic acid hydroperoxy ester IUPAC Name: N,N-diethyl-6-ethylimino-9-[4-methylsulfonyl-2-(trioxidanylsulfanyl)phenyl]xanthen-3-amine Traditional Name: diethyl-[6-ethylimino-9-[4-mesyl-2-(trioxidanylthio)phenyl]xanthen-3-yl]amine Formula: C26H28N2O6S2 MolecularWeight: 528.64032

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1C=CC2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=C(C=C(C=C4)S(=O)(=O)C)SOOO

Isomeric SMILES

CCN=C1C=CC2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=C(C=C(C=C4)S(=O)(=O)C)SOOO

InChI

InChI=1S/C26H28N2O6S2/c1-5-27-17-8-11-20-23(14-17)32-24-15-18(28(6-2)7-3)9-12-21(24)26(20)22-13-10-19(36(4,30)31)16-25(22)35-34-33-29/h8-16,29H,5-7H2,1-4H3