ethyl 2-[[3,6-bis(diethylamino)-9H-xanthen-9-yl]sulfanyl]benzoate

Systemtic Name: ethyl 2-[[3,6-bis(diethylamino)-9H-xanthen-9-yl]sulfanyl]benzoate Openeye Name: ethyl 2-[[3,6-bis(diethylamino)-9H-xanthen-9-yl]sulfanyl]benzoate CAS Name: 2-[[3,6-bis(diethylamino)-9H-xanthen-9-yl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3,6-bis(diethylamino)-9H-xanthen-9-yl]sulfanyl]benzoate Traditional Name: 2-[[3,6-bis(diethylamino)-9H-xanthen-9-yl]thio]benzoic acid ethyl ester Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)SC4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)SC4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C30H36N2O3S/c1-6-31(7-2)21-15-17-23-26(19-21)35-27-20-22(32(8-3)9-4)16-18-24(27)29(23)36-28-14-12-11-13-25(28)30(33)34-10-5/h11-20,29H,6-10H2,1-5H3