[6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)-3H-xanthen-3-yl]-diethyl-azanium

Systemtic Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)-3H-xanthen-3-yl]-diethyl-azanium Openeye Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)-3H-xanthen-3-yl]-diethyl-ammonium CAS Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)-3H-xanthen-3-yl]-diethylammonium IUPAC Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)-3H-xanthen-3-yl]-diethylazanium Traditional Name: [6-[2-carboxyethyl(ethyl)amino]-9-(2-carboxyphenyl)-3H-xanthen-3-yl]-diethyl-ammonium Formula: C29H33N2O5+ MolecularWeight: 489.58272

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1C=CC2=C(C3=C(C=C(C=C3)N(CC)CCC(=O)O)OC2=C1)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC[NH+](CC)C1C=CC2=C(C3=C(C=C(C=C3)N(CC)CCC(=O)O)OC2=C1)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H32N2O5/c1-4-30(5-2)19-11-13-23-25(17-19)36-26-18-20(31(6-3)16-15-27(32)33)12-14-24(26)28(23)21-9-7-8-10-22(21)29(34)35/h7-14,17-19H,4-6,15-16H2,1-3H3,(H,32,33)(H,34,35)/p+1